Home Nitro Compounds 1000895-25-9
1000895-25-9,MFCD12025912
Catalog No.:AA0000S4
1000895-25-9 | 1H-Pyrazole-3-methanol, 5-nitro-
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Technical Information
Catalog Number:
AA0000S4
Chemical Name:
1H-Pyrazole-3-methanol, 5-nitro-
CAS Number:
1000895-25-9
Molecular Formula:
C4H5N3O3
Molecular Weight:
143.1008
MDL Number:
MFCD12025912
IUPAC Name:
(5-nitro-1H-pyrazol-3-yl)methanol
InChI:
InChI=1S/C4H5N3O3/c8-2-3-1-4(6-5-3)7(9)10/h1,8H,2H2,(H,5,6)
InChI Key:
KXBNQNCHAUDZRL-UHFFFAOYSA-N
SMILES:
OCc1n[nH]c(c1)[N+](=O)[O-]
Properties
Computed Properties
 
Complexity:
134  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
143.033g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
143.102g/mol
Monoisotopic Mass:
143.033g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
94.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5  

Synonyms
 
(5-nitro-1H-pyrazol-3-yl)methanol 
1000895-25-9 
CTK3J8518 
DTXSID60670602 
KXBNQNCHAUDZRL-UHFFFAOYSA-N 
KS-000024CK 
1H-Pyrazole-3-methanol, 5-nitro- 
MFCD12025912 
SBB073662 
STL415440 
ZINC40564480 
AKOS005072497 
(3-nitro-1H-pyrazol-5-yl)methanol 
AKOS005169574 
AM86052 
DD-0726 
FCH1411569 
MCULE-7402664274 
RP09870 
RTR-033746 
AJ-103451 
TR-033746 
CS-0034006 
(3-nitropyrazol-5-yl)methan-1-ol 
FT-0680939 
ST45256159 
EN300-232604 
J-501607 
I14-25676 
1844857-53-9 
A1-02676 
W-204342 
nitropyrazolylmethanol 
SCHEMBL173914 
AMOT0454 
Literature
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