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

C11H10ClN5O3 — CID 7022236

IUPAC3-[(4-chloro-3-nitropyrazol-1-yl)methyl]benzohydrazide
SMILESNNC(=O)c1cccc(Cn2cc(Cl)c([N+](=O)[O-])n2)c1
InChIInChI=1S/C11H10ClN5O3/c12-9-6-16(15-10(9)17(19)20)5-7-2-1-3-8(4-7)11(18)14-13/h1-4,6H,5,13H2,(H,14,18)
InChIKeyUCZXPAKFPHEYOQ-UHFFFAOYSA-N
MW295.69 g/mol
LogP1.10
Rot. Bonds4

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

3-[(4-chloro-3-nitropyrazol-1-yl)methyl]benzohydrazide (PubChem CID 7022236) has the molecular formula C11H10ClN5O3 and a molecular weight of 295.69 g/mol. Its IUPAC name is 3-[(4-chloro-3-nitropyrazol-1-yl)methyl]benzohydrazide.

Molecular Properties

Compound Name3-[(4-chloro-3-nitropyrazol-1-yl)methyl]benzohydrazide
PubChem CID7022236
Molecular FormulaC11H10ClN5O3
Molecular Weight295.69 g/mol
Exact Mass295.05
IUPAC Name3-[(4-chloro-3-nitropyrazol-1-yl)methyl]benzohydrazide
SMILESNNC(=O)c1cccc(Cn2cc(Cl)c([N+](=O)[O-])n2)c1
InChIInChI=1S/C11H10ClN5O3/c12-9-6-16(15-10(9)17(19)20)5-7-2-1-3-8(4-7)11(18)14-13/h1-4,6H,5,13H2,(H,14,18)
InChIKeyUCZXPAKFPHEYOQ-UHFFFAOYSA-N
XLogP1.10
TPSA116.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.69
LogP ≤ 51.10
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

3-[(4-chloro-3-nitropyrazol-1-yl)methyl]benzoate
CID 6949091
4-chloro-1-[(3-methylphenyl)methyl]-3-nitropyrazole
CID 2991992
4-[(4-chloro-3-nitropyrazol-1-yl)methyl]-N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]benzamide
CID 17024025
4-[(4-chloro-3-nitropyrazol-1-yl)methyl]benzoic acid
CID 840117
4-[(4-chloro-3-nitropyrazol-1-yl)methyl]-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]benzamide
CID 19584119
3-[(4-bromo-3-nitropyrazol-1-yl)methyl]-N-(5-bromo-1,3-thiazol-2-yl)benzamide
CID 1017788
4-chloro-1-[(3,4-difluorophenyl)methyl]-3-nitropyrazole
CID 82930503
4-chloro-1-[(4-chloro-3-fluorophenyl)methyl]-3-nitropyrazole
CID 107885716
4-chloro-1-[(4-methylphenyl)methyl]-3-nitropyrazole
CID 17024843
3-[(3-nitro-4-oxo-1-pyridinyl)methyl]benzohydrazide
CID 82992768
4-[(4-chloro-3-nitropyrazol-1-yl)methyl]-N-[(1-ethylpyrazol-4-yl)methyl]benzamide
CID 17023982
N-[4-chloro-1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-3-[(4-methyl-2-nitrophenoxy)methyl]benzamide
CID 19398758

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chloro-3-nitropyrazol-1-yl)methyl]benzohydrazide?
The IUPAC name of 3-[(4-chloro-3-nitropyrazol-1-yl)methyl]benzohydrazide (CID 7022236) is 3-[(4-chloro-3-nitropyrazol-1-yl)methyl]benzohydrazide.
What is the SMILES notation for 3-[(4-chloro-3-nitropyrazol-1-yl)methyl]benzohydrazide?
The canonical SMILES for 3-[(4-chloro-3-nitropyrazol-1-yl)methyl]benzohydrazide is NNC(=O)c1cccc(Cn2cc(Cl)c([N+](=O)[O-])n2)c1.
What is the InChIKey of 3-[(4-chloro-3-nitropyrazol-1-yl)methyl]benzohydrazide?
The InChIKey is UCZXPAKFPHEYOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN5O3/c12-9-6-16(15-10(9)17(19)20)5-7-2-1-3-8(4-7)11(18)14-13/h1-4,6H,5,13H2,(H,14,18).
What are the key properties of 3-[(4-chloro-3-nitropyrazol-1-yl)methyl]benzohydrazide?
3-[(4-chloro-3-nitropyrazol-1-yl)methyl]benzohydrazide has a molecular weight of 295.69 g/mol, XLogP of 1.10, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chloro-3-nitropyrazol-1-yl)methyl]benzohydrazide is sourced from PubChem (CID 7022236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).