1-(3-chlorophenyl)-N'-(2-nitrophenyl)pyrazole-4-carbohydrazide

C16H12ClN5O3 — CID 55900121

IUPAC1-(3-chlorophenyl)-N'-(2-nitrophenyl)pyrazole-4-carbohydrazide
SMILESO=C(NNc1ccccc1[N+](=O)[O-])c1cnn(-c2cccc(Cl)c2)c1
InChIInChI=1S/C16H12ClN5O3/c17-12-4-3-5-13(8-12)21-10-11(9-18-21)16(23)20-19-14-6-1-2-7-15(14)22(24)25/h1-10,19H,(H,20,23)
InChIKeyORZYHGKYNGNIJX-UHFFFAOYSA-N
MW357.76 g/mol
LogP3.19
Rot. Bonds5

About 1-(3-chlorophenyl)-N'-(2-nitrophenyl)pyrazole-4-carbohydrazide

1-(3-chlorophenyl)-N'-(2-nitrophenyl)pyrazole-4-carbohydrazide (PubChem CID 55900121) has the molecular formula C16H12ClN5O3 and a molecular weight of 357.76 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N'-(2-nitrophenyl)pyrazole-4-carbohydrazide.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N'-(2-nitrophenyl)pyrazole-4-carbohydrazide
PubChem CID55900121
Molecular FormulaC16H12ClN5O3
Molecular Weight357.76 g/mol
Exact Mass357.06
IUPAC Name1-(3-chlorophenyl)-N'-(2-nitrophenyl)pyrazole-4-carbohydrazide
SMILESO=C(NNc1ccccc1[N+](=O)[O-])c1cnn(-c2cccc(Cl)c2)c1
InChIInChI=1S/C16H12ClN5O3/c17-12-4-3-5-13(8-12)21-10-11(9-18-21)16(23)20-19-14-6-1-2-7-15(14)22(24)25/h1-10,19H,(H,20,23)
InChIKeyORZYHGKYNGNIJX-UHFFFAOYSA-N
XLogP3.19
TPSA102.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.76
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N'-(2-nitrophenyl)benzohydrazide
CID 3718054
1-(3-chlorophenyl)-N-(3-methyl-4-pyridinyl)pyrazole-4-carboxamide
CID 98783333
1-(3-chlorophenyl)-N-[2-[(2-fluorobenzoyl)amino]ethyl]pyrazole-4-carboxamide
CID 55974960
N-[3-(aminomethyl)pentan-3-yl]-1-(3-chlorophenyl)pyrazole-4-carboxamide
CID 119571092
1-(3-chlorophenyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)pyrazole-4-carboxamide
CID 47299668
N-(5-chloro-2-fluorophenyl)-1-phenylpyrazole-4-carboxamide
CID 95235133
1-(3-chlorophenyl)-N-(4-hydroxycyclohexyl)pyrazole-4-carboxamide
CID 110899894
4-[[1-(3-chlorophenyl)pyrazole-4-carbonyl]amino]-4-methylpentanoic acid
CID 119204645
1-(3-chlorophenyl)-N-[4-chloro-2-(pyrrolidine-1-carbonyl)phenyl]pyrazole-4-carboxamide
CID 55872180
N-[1-(3-chlorophenyl)pyrazol-4-yl]benzamide
CID 67287365
N-(6-bromo-3-pyridinyl)-1-(3-chlorophenyl)pyrazole-4-carboxamide
CID 99635482
1-(3-chlorophenyl)-N-[(3S)-3-hydroxybutyl]pyrazole-4-carboxamide
CID 95980723

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N'-(2-nitrophenyl)pyrazole-4-carbohydrazide?
The IUPAC name of 1-(3-chlorophenyl)-N'-(2-nitrophenyl)pyrazole-4-carbohydrazide (CID 55900121) is 1-(3-chlorophenyl)-N'-(2-nitrophenyl)pyrazole-4-carbohydrazide.
What is the SMILES notation for 1-(3-chlorophenyl)-N'-(2-nitrophenyl)pyrazole-4-carbohydrazide?
The canonical SMILES for 1-(3-chlorophenyl)-N'-(2-nitrophenyl)pyrazole-4-carbohydrazide is O=C(NNc1ccccc1[N+](=O)[O-])c1cnn(-c2cccc(Cl)c2)c1.
What is the InChIKey of 1-(3-chlorophenyl)-N'-(2-nitrophenyl)pyrazole-4-carbohydrazide?
The InChIKey is ORZYHGKYNGNIJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN5O3/c17-12-4-3-5-13(8-12)21-10-11(9-18-21)16(23)20-19-14-6-1-2-7-15(14)22(24)25/h1-10,19H,(H,20,23).
What are the key properties of 1-(3-chlorophenyl)-N'-(2-nitrophenyl)pyrazole-4-carbohydrazide?
1-(3-chlorophenyl)-N'-(2-nitrophenyl)pyrazole-4-carbohydrazide has a molecular weight of 357.76 g/mol, XLogP of 3.19, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N'-(2-nitrophenyl)pyrazole-4-carbohydrazide is sourced from PubChem (CID 55900121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).