4-[(3-nitropyrazol-1-yl)methyl]benzohydrazide

C11H11N5O3 — CID 843247

IUPAC4-[(3-nitropyrazol-1-yl)methyl]benzohydrazide
SMILESNNC(=O)c1ccc(Cn2ccc([N+](=O)[O-])n2)cc1
InChIInChI=1S/C11H11N5O3/c12-13-11(17)9-3-1-8(2-4-9)7-15-6-5-10(14-15)16(18)19/h1-6H,7,12H2,(H,13,17)
InChIKeyGESZQNLGDUQQRM-UHFFFAOYSA-N
MW261.24 g/mol
LogP0.44
Rot. Bonds4

About 4-[(3-nitropyrazol-1-yl)methyl]benzohydrazide

4-[(3-nitropyrazol-1-yl)methyl]benzohydrazide (PubChem CID 843247) has the molecular formula C11H11N5O3 and a molecular weight of 261.24 g/mol. Its IUPAC name is 4-[(3-nitropyrazol-1-yl)methyl]benzohydrazide.

Molecular Properties

Compound Name4-[(3-nitropyrazol-1-yl)methyl]benzohydrazide
PubChem CID843247
Molecular FormulaC11H11N5O3
Molecular Weight261.24 g/mol
Exact Mass261.09
IUPAC Name4-[(3-nitropyrazol-1-yl)methyl]benzohydrazide
SMILESNNC(=O)c1ccc(Cn2ccc([N+](=O)[O-])n2)cc1
InChIInChI=1S/C11H11N5O3/c12-13-11(17)9-3-1-8(2-4-9)7-15-6-5-10(14-15)16(18)19/h1-6H,7,12H2,(H,13,17)
InChIKeyGESZQNLGDUQQRM-UHFFFAOYSA-N
XLogP0.44
TPSA116.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.24
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[(3-nitropyrazol-1-yl)methyl]benzoic acid
CID 819614
4-[(4-nitroimidazol-1-yl)methyl]benzohydrazide
CID 63578461
1-[(4-ethylphenyl)methyl]-3-nitropyrazole
CID 118560160
4-[(3-cyclopropylpyrazol-1-yl)methyl]benzohydrazide
CID 64778361
3-[(3-nitropyrazol-1-yl)methyl]benzoic acid
CID 819609
(4-benzylpiperazin-1-yl)-[4-[(3-nitropyrazol-1-yl)methyl]phenyl]methanone chloride
CID 53351503
1-[[4-(hydrazinecarbonyl)phenyl]methyl]-N,N-dimethylpyrazole-3-carboxamide
CID 64781499
N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-4-nitrobenzamide
CID 17285370
4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]benzohydrazide
CID 844330
[5-[(3-nitropyrazol-1-yl)methyl]furan-2-yl]methanol
CID 66928541
3-[(4-chloro-3-nitropyrazol-1-yl)methyl]benzohydrazide
CID 7022236
4-[(5-nitro-2-oxo-1-pyridinyl)methyl]benzohydrazide
CID 63578818

Frequently Asked Questions

What is the IUPAC name of 4-[(3-nitropyrazol-1-yl)methyl]benzohydrazide?
The IUPAC name of 4-[(3-nitropyrazol-1-yl)methyl]benzohydrazide (CID 843247) is 4-[(3-nitropyrazol-1-yl)methyl]benzohydrazide.
What is the SMILES notation for 4-[(3-nitropyrazol-1-yl)methyl]benzohydrazide?
The canonical SMILES for 4-[(3-nitropyrazol-1-yl)methyl]benzohydrazide is NNC(=O)c1ccc(Cn2ccc([N+](=O)[O-])n2)cc1.
What is the InChIKey of 4-[(3-nitropyrazol-1-yl)methyl]benzohydrazide?
The InChIKey is GESZQNLGDUQQRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5O3/c12-13-11(17)9-3-1-8(2-4-9)7-15-6-5-10(14-15)16(18)19/h1-6H,7,12H2,(H,13,17).
What are the key properties of 4-[(3-nitropyrazol-1-yl)methyl]benzohydrazide?
4-[(3-nitropyrazol-1-yl)methyl]benzohydrazide has a molecular weight of 261.24 g/mol, XLogP of 0.44, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-nitropyrazol-1-yl)methyl]benzohydrazide is sourced from PubChem (CID 843247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).