1-benzyl-N'-(3-chlorophenyl)-3-(4-methylphenyl)pyrazole-4-carbohydrazide

C24H21ClN4O — CID 43021494

IUPAC1-benzyl-N'-(3-chlorophenyl)-3-(4-methylphenyl)pyrazole-4-carbohydrazide
SMILESCc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)NNc2cccc(Cl)c2)cc1
InChIInChI=1S/C24H21ClN4O/c1-17-10-12-19(13-11-17)23-22(16-29(28-23)15-18-6-3-2-4-7-18)24(30)27-26-21-9-5-8-20(25)14-21/h2-14,16,26H,15H2,1H3,(H,27,30)
InChIKeyNMHSNVVQNIURIV-UHFFFAOYSA-N
MW416.91 g/mol
LogP5.32
Rot. Bonds6

About 1-benzyl-N'-(3-chlorophenyl)-3-(4-methylphenyl)pyrazole-4-carbohydrazide

1-benzyl-N'-(3-chlorophenyl)-3-(4-methylphenyl)pyrazole-4-carbohydrazide (PubChem CID 43021494) has the molecular formula C24H21ClN4O and a molecular weight of 416.91 g/mol. Its IUPAC name is 1-benzyl-N'-(3-chlorophenyl)-3-(4-methylphenyl)pyrazole-4-carbohydrazide.

Molecular Properties

Compound Name1-benzyl-N'-(3-chlorophenyl)-3-(4-methylphenyl)pyrazole-4-carbohydrazide
PubChem CID43021494
Molecular FormulaC24H21ClN4O
Molecular Weight416.91 g/mol
Exact Mass416.14
IUPAC Name1-benzyl-N'-(3-chlorophenyl)-3-(4-methylphenyl)pyrazole-4-carbohydrazide
SMILESCc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)NNc2cccc(Cl)c2)cc1
InChIInChI=1S/C24H21ClN4O/c1-17-10-12-19(13-11-17)23-22(16-29(28-23)15-18-6-3-2-4-7-18)24(30)27-26-21-9-5-8-20(25)14-21/h2-14,16,26H,15H2,1H3,(H,27,30)
InChIKeyNMHSNVVQNIURIV-UHFFFAOYSA-N
XLogP5.32
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.91
LogP ≤ 55.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-acetamidophenyl)-1-benzyl-3-(4-methylphenyl)pyrazole-4-carboxamide
CID 18204910
1-benzyl-N-(2,4-dimethylphenyl)-3-(4-methylphenyl)pyrazole-4-carboxamide
CID 18268437
1-benzyl-N-(2-hydroxypropyl)-3-(4-methylphenyl)pyrazole-4-carboxamide
CID 78803173
1-benzyl-N-[2-(ethylamino)-2-oxoethyl]-3-(4-methylphenyl)pyrazole-4-carboxamide
CID 9224501
1-benzyl-N-[3-(methylamino)propyl]-3-(4-methylphenyl)pyrazole-4-carboxamide
CID 119429455
1-benzyl-3-(4-chlorophenyl)-N-ethylpyrazole-4-carboxamide
CID 56827699
1-benzyl-N-(4-cyanophenyl)-3-(4-methylphenyl)pyrazole-4-carboxamide
CID 18225401
1-benzyl-N-[3-(methylcarbamoylamino)phenyl]-3-phenylpyrazole-4-carboxamide
CID 99181106
N-(3-amino-2-methylpropyl)-1-benzyl-3-(4-methylphenyl)pyrazole-4-carboxamide;hydrochloride
CID 119995333
1-benzyl-N-[2-(4-methylphenyl)sulfanylethyl]-3-phenylpyrazole-4-carboxamide
CID 18228084
propan-2-yl 2-[[1-benzyl-3-(4-methylphenyl)pyrazole-4-carbonyl]amino]acetate
CID 56550784
methyl 3-[[1-benzyl-3-(4-methylphenyl)pyrazole-4-carbonyl]amino]-4-methylbenzoate
CID 18288690

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N'-(3-chlorophenyl)-3-(4-methylphenyl)pyrazole-4-carbohydrazide?
The IUPAC name of 1-benzyl-N'-(3-chlorophenyl)-3-(4-methylphenyl)pyrazole-4-carbohydrazide (CID 43021494) is 1-benzyl-N'-(3-chlorophenyl)-3-(4-methylphenyl)pyrazole-4-carbohydrazide.
What is the SMILES notation for 1-benzyl-N'-(3-chlorophenyl)-3-(4-methylphenyl)pyrazole-4-carbohydrazide?
The canonical SMILES for 1-benzyl-N'-(3-chlorophenyl)-3-(4-methylphenyl)pyrazole-4-carbohydrazide is Cc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)NNc2cccc(Cl)c2)cc1.
What is the InChIKey of 1-benzyl-N'-(3-chlorophenyl)-3-(4-methylphenyl)pyrazole-4-carbohydrazide?
The InChIKey is NMHSNVVQNIURIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN4O/c1-17-10-12-19(13-11-17)23-22(16-29(28-23)15-18-6-3-2-4-7-18)24(30)27-26-21-9-5-8-20(25)14-21/h2-14,16,26H,15H2,1H3,(H,27,30).
What are the key properties of 1-benzyl-N'-(3-chlorophenyl)-3-(4-methylphenyl)pyrazole-4-carbohydrazide?
1-benzyl-N'-(3-chlorophenyl)-3-(4-methylphenyl)pyrazole-4-carbohydrazide has a molecular weight of 416.91 g/mol, XLogP of 5.32, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N'-(3-chlorophenyl)-3-(4-methylphenyl)pyrazole-4-carbohydrazide is sourced from PubChem (CID 43021494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).