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

C18H17ClN4O2 — CID 91871518

IUPAC5-(4-chlorophenyl)-1-[(4-methoxyphenyl)methyl]pyrazole-3-carbohydrazide
SMILESCOc1ccc(Cn2nc(C(=O)NN)cc2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H17ClN4O2/c1-25-15-8-2-12(3-9-15)11-23-17(10-16(22-23)18(24)21-20)13-4-6-14(19)7-5-13/h2-10H,11,20H2,1H3,(H,21,24)
InChIKeyBJXDDFVIKNQAKY-UHFFFAOYSA-N
MW356.81 g/mol
LogP2.86
Rot. Bonds5

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

5-(4-chlorophenyl)-1-[(4-methoxyphenyl)methyl]pyrazole-3-carbohydrazide (PubChem CID 91871518) has the molecular formula C18H17ClN4O2 and a molecular weight of 356.81 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-1-[(4-methoxyphenyl)methyl]pyrazole-3-carbohydrazide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-1-[(4-methoxyphenyl)methyl]pyrazole-3-carbohydrazide
PubChem CID91871518
Molecular FormulaC18H17ClN4O2
Molecular Weight356.81 g/mol
Exact Mass356.10
IUPAC Name5-(4-chlorophenyl)-1-[(4-methoxyphenyl)methyl]pyrazole-3-carbohydrazide
SMILESCOc1ccc(Cn2nc(C(=O)NN)cc2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H17ClN4O2/c1-25-15-8-2-12(3-9-15)11-23-17(10-16(22-23)18(24)21-20)13-4-6-14(19)7-5-13/h2-10H,11,20H2,1H3,(H,21,24)
InChIKeyBJXDDFVIKNQAKY-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

1-[(4-chlorophenyl)methyl]-5-(4-methoxyphenyl)pyrazole-3-carbohydrazide
CID 91871470
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 5-(4-chlorophenyl)-1-[(4-methoxyphenyl)methyl]pyrazole-3-carbohydrazide?
The IUPAC name of 5-(4-chlorophenyl)-1-[(4-methoxyphenyl)methyl]pyrazole-3-carbohydrazide (CID 91871518) is 5-(4-chlorophenyl)-1-[(4-methoxyphenyl)methyl]pyrazole-3-carbohydrazide.
What is the SMILES notation for 5-(4-chlorophenyl)-1-[(4-methoxyphenyl)methyl]pyrazole-3-carbohydrazide?
The canonical SMILES for 5-(4-chlorophenyl)-1-[(4-methoxyphenyl)methyl]pyrazole-3-carbohydrazide is COc1ccc(Cn2nc(C(=O)NN)cc2-c2ccc(Cl)cc2)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-1-[(4-methoxyphenyl)methyl]pyrazole-3-carbohydrazide?
The InChIKey is BJXDDFVIKNQAKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O2/c1-25-15-8-2-12(3-9-15)11-23-17(10-16(22-23)18(24)21-20)13-4-6-14(19)7-5-13/h2-10H,11,20H2,1H3,(H,21,24).
What are the key properties of 5-(4-chlorophenyl)-1-[(4-methoxyphenyl)methyl]pyrazole-3-carbohydrazide?
5-(4-chlorophenyl)-1-[(4-methoxyphenyl)methyl]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 5-(4-chlorophenyl)-1-[(4-methoxyphenyl)methyl]pyrazole-3-carbohydrazide is sourced from PubChem (CID 91871518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).