5-chloro-N'-(2,4-dimethylbenzoyl)-3-methyl-1-phenylpyrazole-4-carbohydrazide

C20H19ClN4O2 — CID 18225535

IUPAC5-chloro-N'-(2,4-dimethylbenzoyl)-3-methyl-1-phenylpyrazole-4-carbohydrazide
SMILESCc1ccc(C(=O)NNC(=O)c2c(C)nn(-c3ccccc3)c2Cl)c(C)c1
InChIInChI=1S/C20H19ClN4O2/c1-12-9-10-16(13(2)11-12)19(26)22-23-20(27)17-14(3)24-25(18(17)21)15-7-5-4-6-8-15/h4-11H,1-3H3,(H,22,26)(H,23,27)
InChIKeyQRKHINRPTCOGKI-UHFFFAOYSA-N
MW382.85 g/mol
LogP3.53
Rot. Bonds3

About 5-chloro-N'-(2,4-dimethylbenzoyl)-3-methyl-1-phenylpyrazole-4-carbohydrazide

5-chloro-N'-(2,4-dimethylbenzoyl)-3-methyl-1-phenylpyrazole-4-carbohydrazide (PubChem CID 18225535) has the molecular formula C20H19ClN4O2 and a molecular weight of 382.85 g/mol. Its IUPAC name is 5-chloro-N'-(2,4-dimethylbenzoyl)-3-methyl-1-phenylpyrazole-4-carbohydrazide.

Molecular Properties

Compound Name5-chloro-N'-(2,4-dimethylbenzoyl)-3-methyl-1-phenylpyrazole-4-carbohydrazide
PubChem CID18225535
Molecular FormulaC20H19ClN4O2
Molecular Weight382.85 g/mol
Exact Mass382.12
IUPAC Name5-chloro-N'-(2,4-dimethylbenzoyl)-3-methyl-1-phenylpyrazole-4-carbohydrazide
SMILESCc1ccc(C(=O)NNC(=O)c2c(C)nn(-c3ccccc3)c2Cl)c(C)c1
InChIInChI=1S/C20H19ClN4O2/c1-12-9-10-16(13(2)11-12)19(26)22-23-20(27)17-14(3)24-25(18(17)21)15-7-5-4-6-8-15/h4-11H,1-3H3,(H,22,26)(H,23,27)
InChIKeyQRKHINRPTCOGKI-UHFFFAOYSA-N
XLogP3.53
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.85
LogP ≤ 53.53
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'-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfanylacetyl]-2,4-dimethylbenzohydrazide
CID 9276647
5-chloro-3-methyl-N-(3-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 3132709
5-chloro-3-methyl-1-phenyl-N'-(3,4,5-trimethoxybenzoyl)pyrazole-4-carbohydrazide
CID 4808544
5-chloro-N-(3,4-dimethylphenyl)-3-methyl-1-phenylpyrazole-4-carboxamide
CID 680133
5-chloro-3-methyl-N'-(3-nitrobenzoyl)-1-phenylpyrazole-4-carbohydrazide
CID 29259929
5-chloro-N-(4-chloro-2-methylphenyl)-3-methyl-1-phenylpyrazole-4-carboxamide
CID 26114612
(2R)-2-[(5-chloro-3-methyl-1-phenylpyrazole-4-carbonyl)amino]propanoic acid
CID 91645010
[2-(2,5-dimethylanilino)-2-oxoethyl] 5-chloro-3-methyl-1-phenylpyrazole-4-carboxylate
CID 8576334
N-(4-acetamido-3-methylphenyl)-5-chloro-3-methyl-1-phenylpyrazole-4-carboxamide
CID 1147396
5-chloro-3-methyl-N-[(5-methylpyrimidin-2-yl)methyl]-1-phenylpyrazole-4-carboxamide
CID 155964290
N-(4-tert-butylphenyl)-5-chloro-3-methyl-1-phenylpyrazole-4-carboxamide
CID 26102988
5-chloro-N'-[2-(2-fluorophenoxy)propanoyl]-3-methyl-1-phenylpyrazole-4-carbohydrazide
CID 43003708

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N'-(2,4-dimethylbenzoyl)-3-methyl-1-phenylpyrazole-4-carbohydrazide?
The IUPAC name of 5-chloro-N'-(2,4-dimethylbenzoyl)-3-methyl-1-phenylpyrazole-4-carbohydrazide (CID 18225535) is 5-chloro-N'-(2,4-dimethylbenzoyl)-3-methyl-1-phenylpyrazole-4-carbohydrazide.
What is the SMILES notation for 5-chloro-N'-(2,4-dimethylbenzoyl)-3-methyl-1-phenylpyrazole-4-carbohydrazide?
The canonical SMILES for 5-chloro-N'-(2,4-dimethylbenzoyl)-3-methyl-1-phenylpyrazole-4-carbohydrazide is Cc1ccc(C(=O)NNC(=O)c2c(C)nn(-c3ccccc3)c2Cl)c(C)c1.
What is the InChIKey of 5-chloro-N'-(2,4-dimethylbenzoyl)-3-methyl-1-phenylpyrazole-4-carbohydrazide?
The InChIKey is QRKHINRPTCOGKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O2/c1-12-9-10-16(13(2)11-12)19(26)22-23-20(27)17-14(3)24-25(18(17)21)15-7-5-4-6-8-15/h4-11H,1-3H3,(H,22,26)(H,23,27).
What are the key properties of 5-chloro-N'-(2,4-dimethylbenzoyl)-3-methyl-1-phenylpyrazole-4-carbohydrazide?
5-chloro-N'-(2,4-dimethylbenzoyl)-3-methyl-1-phenylpyrazole-4-carbohydrazide has a molecular weight of 382.85 g/mol, XLogP of 3.53, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N'-(2,4-dimethylbenzoyl)-3-methyl-1-phenylpyrazole-4-carbohydrazide is sourced from PubChem (CID 18225535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).