1-[(4-chlorophenyl)methyl]-5-(4-methoxyphenyl)pyrazole-3-carbohydrazide

C18H17ClN4O2 — CID 91871470

IUPAC1-[(4-chlorophenyl)methyl]-5-(4-methoxyphenyl)pyrazole-3-carbohydrazide
SMILESCOc1ccc(-c2cc(C(=O)NN)nn2Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H17ClN4O2/c1-25-15-8-4-13(5-9-15)17-10-16(18(24)21-20)22-23(17)11-12-2-6-14(19)7-3-12/h2-10H,11,20H2,1H3,(H,21,24)
InChIKeyCFDTWNSEXBUSQC-UHFFFAOYSA-N
MW356.81 g/mol
LogP2.86
Rot. Bonds5

About 1-[(4-chlorophenyl)methyl]-5-(4-methoxyphenyl)pyrazole-3-carbohydrazide

1-[(4-chlorophenyl)methyl]-5-(4-methoxyphenyl)pyrazole-3-carbohydrazide (PubChem CID 91871470) has the molecular formula C18H17ClN4O2 and a molecular weight of 356.81 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-5-(4-methoxyphenyl)pyrazole-3-carbohydrazide.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-5-(4-methoxyphenyl)pyrazole-3-carbohydrazide
PubChem CID91871470
Molecular FormulaC18H17ClN4O2
Molecular Weight356.81 g/mol
Exact Mass356.10
IUPAC Name1-[(4-chlorophenyl)methyl]-5-(4-methoxyphenyl)pyrazole-3-carbohydrazide
SMILESCOc1ccc(-c2cc(C(=O)NN)nn2Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H17ClN4O2/c1-25-15-8-4-13(5-9-15)17-10-16(18(24)21-20)22-23(17)11-12-2-6-14(19)7-3-12/h2-10H,11,20H2,1H3,(H,21,24)
InChIKeyCFDTWNSEXBUSQC-UHFFFAOYSA-N
XLogP2.86
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.81
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(4-chlorophenyl)-1-[(4-methoxyphenyl)methyl]pyrazole-3-carbohydrazide
CID 91871518
1-benzyl-5-phenylpyrazole-3-carbohydrazide
CID 91871673
1-[(3-chloro-4-methylphenyl)methyl]-5-(4-methoxyphenyl)pyrazole-3-carboxylic acid;hydrochloride
CID 67566503
ethyl 1-[2-(4-chlorophenyl)-2-oxoethyl]-5-(4-methoxyphenyl)pyrazole-3-carboxylate
CID 50905377
5-(4-bromophenyl)-1-(4-methoxyphenyl)pyrazole-3-carbohydrazide
CID 166610813
1-[(4-chlorophenyl)methyl]-N-(4-methoxyphenyl)-6-oxopyridazine-3-carboxamide
CID 41247979
2-(3-chlorophenyl)-3-[5-(4-chlorophenyl)-1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]propanoic acid
CID 59984388
2-[(4-chlorophenyl)methyl]-5-methylpyrazole-3-carbohydrazide
CID 5239334
5-(4-bromophenyl)-1-ethylpyrazole-3-carbohydrazide
CID 91872233
ethyl 5-(4-methylphenyl)-1-[(4-methylphenyl)methyl]pyrazole-3-carboxylate
CID 91872786
1-ethyl-5-(4-fluorophenyl)pyrazole-3-carbohydrazide
CID 91871685
3-[[4-[[3-(3-chloro-5-methylphenyl)-5-(4-methoxyphenyl)pyrazol-1-yl]methyl]benzoyl]amino]propanoic acid
CID 142930209

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-5-(4-methoxyphenyl)pyrazole-3-carbohydrazide?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-5-(4-methoxyphenyl)pyrazole-3-carbohydrazide (CID 91871470) is 1-[(4-chlorophenyl)methyl]-5-(4-methoxyphenyl)pyrazole-3-carbohydrazide.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-5-(4-methoxyphenyl)pyrazole-3-carbohydrazide?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-5-(4-methoxyphenyl)pyrazole-3-carbohydrazide is COc1ccc(-c2cc(C(=O)NN)nn2Cc2ccc(Cl)cc2)cc1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-5-(4-methoxyphenyl)pyrazole-3-carbohydrazide?
The InChIKey is CFDTWNSEXBUSQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O2/c1-25-15-8-4-13(5-9-15)17-10-16(18(24)21-20)22-23(17)11-12-2-6-14(19)7-3-12/h2-10H,11,20H2,1H3,(H,21,24).
What are the key properties of 1-[(4-chlorophenyl)methyl]-5-(4-methoxyphenyl)pyrazole-3-carbohydrazide?
1-[(4-chlorophenyl)methyl]-5-(4-methoxyphenyl)pyrazole-3-carbohydrazide has a molecular weight of 356.81 g/mol, XLogP of 2.86, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-5-(4-methoxyphenyl)pyrazole-3-carbohydrazide is sourced from PubChem (CID 91871470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).