5-chloro-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide

C24H24ClN5O2 — CID 27649003

IUPAC5-chloro-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide
SMILESCc1ccc(Cn2nc(C)c(C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)c2Cl)cc1
InChIInChI=1S/C24H24ClN5O2/c1-15-10-12-18(13-11-15)14-29-22(25)20(16(2)27-29)23(31)26-21-17(3)28(4)30(24(21)32)19-8-6-5-7-9-19/h5-13H,14H2,1-4H3,(H,26,31)
InChIKeyQJGOVENURLHYIU-UHFFFAOYSA-N
MW449.94 g/mol
LogP4.25
Rot. Bonds5

About 5-chloro-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide

5-chloro-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide (PubChem CID 27649003) has the molecular formula C24H24ClN5O2 and a molecular weight of 449.94 g/mol. Its IUPAC name is 5-chloro-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide
PubChem CID27649003
Molecular FormulaC24H24ClN5O2
Molecular Weight449.94 g/mol
Exact Mass449.16
IUPAC Name5-chloro-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide
SMILESCc1ccc(Cn2nc(C)c(C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)c2Cl)cc1
InChIInChI=1S/C24H24ClN5O2/c1-15-10-12-18(13-11-15)14-29-22(25)20(16(2)27-29)23(31)26-21-17(3)28(4)30(24(21)32)19-8-6-5-7-9-19/h5-13H,14H2,1-4H3,(H,26,31)
InChIKeyQJGOVENURLHYIU-UHFFFAOYSA-N
XLogP4.25
TPSA73.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.94
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-chloro-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-methyl-1-(4-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20915153
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzamide
CID 21924
5-chloro-3-methyl-1-[(4-methylphenyl)methyl]-N-[4-(pyrazol-1-ylmethyl)phenyl]pyrazole-4-carboxamide
CID 55812614
5-chloro-N-(4-fluorophenyl)-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide
CID 18292119
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1-methyl-6-oxopyridazine-3-carboxamide
CID 35864182
1-[(2-chlorophenyl)methyl]-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 26908985
5-chloro-3-methyl-1-[(4-methylphenyl)methyl]-N-(3-phenylpropyl)pyrazole-4-carboxamide
CID 27647040
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-[(2-methylimidazol-1-yl)methyl]benzamide
CID 43922007
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 32684872
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 27666108
5-chloro-3-methyl-N-[(2-methylphenyl)methyl]-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide
CID 26313221
1-benzyl-5-chloro-3-methyl-N-(4-propylphenyl)pyrazole-4-carboxamide
CID 9225352

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide?
The IUPAC name of 5-chloro-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide (CID 27649003) is 5-chloro-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide.
What is the SMILES notation for 5-chloro-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide?
The canonical SMILES for 5-chloro-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide is Cc1ccc(Cn2nc(C)c(C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)c2Cl)cc1.
What is the InChIKey of 5-chloro-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide?
The InChIKey is QJGOVENURLHYIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN5O2/c1-15-10-12-18(13-11-15)14-29-22(25)20(16(2)27-29)23(31)26-21-17(3)28(4)30(24(21)32)19-8-6-5-7-9-19/h5-13H,14H2,1-4H3,(H,26,31).
What are the key properties of 5-chloro-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide?
5-chloro-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide has a molecular weight of 449.94 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 27649003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).