5-chloro-1-(4-fluorophenyl)-3-methyl-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]pyrazole-4-carboxamide

C23H25ClFN5O — CID 134016397

IUPAC5-chloro-1-(4-fluorophenyl)-3-methyl-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]pyrazole-4-carboxamide
SMILESCc1cc(NC(=O)c2c(C)nn(-c3ccc(F)cc3)c2Cl)ccc1N1CCN(C)CC1
InChIInChI=1S/C23H25ClFN5O/c1-15-14-18(6-9-20(15)29-12-10-28(3)11-13-29)26-23(31)21-16(2)27-30(22(21)24)19-7-4-17(25)5-8-19/h4-9,14H,10-13H2,1-3H3,(H,26,31)
InChIKeyOXNZXAWKGPDEEA-UHFFFAOYSA-N
MW441.94 g/mol
LogP4.29
Rot. Bonds4

About 5-chloro-1-(4-fluorophenyl)-3-methyl-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]pyrazole-4-carboxamide

5-chloro-1-(4-fluorophenyl)-3-methyl-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]pyrazole-4-carboxamide (PubChem CID 134016397) has the molecular formula C23H25ClFN5O and a molecular weight of 441.94 g/mol. Its IUPAC name is 5-chloro-1-(4-fluorophenyl)-3-methyl-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-chloro-1-(4-fluorophenyl)-3-methyl-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]pyrazole-4-carboxamide
PubChem CID134016397
Molecular FormulaC23H25ClFN5O
Molecular Weight441.94 g/mol
Exact Mass441.17
IUPAC Name5-chloro-1-(4-fluorophenyl)-3-methyl-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]pyrazole-4-carboxamide
SMILESCc1cc(NC(=O)c2c(C)nn(-c3ccc(F)cc3)c2Cl)ccc1N1CCN(C)CC1
InChIInChI=1S/C23H25ClFN5O/c1-15-14-18(6-9-20(15)29-12-10-28(3)11-13-29)26-23(31)21-16(2)27-30(22(21)24)19-7-4-17(25)5-8-19/h4-9,14H,10-13H2,1-3H3,(H,26,31)
InChIKeyOXNZXAWKGPDEEA-UHFFFAOYSA-N
XLogP4.29
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.94
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 5-chloro-1-(4-fluorophenyl)-3-methyl-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]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-(4-acetamidophenyl)-5-chloro-1-(4-fluorophenyl)-3-methylpyrazole-4-carboxamide
CID 8701464
5-chloro-1-(4-fluorophenyl)-3-methyl-N-pyridin-4-ylpyrazole-4-carboxamide
CID 27699924
5-chloro-N-(5-fluoro-2-methylphenyl)-1-(4-fluorophenyl)-3-methylpyrazole-4-carboxamide
CID 9097679
5-chloro-N-(3,4-dimethylphenyl)-3-methyl-1-phenylpyrazole-4-carboxamide
CID 680133
N-[3-cyano-4-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl]-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide
CID 22228069
5-chloro-1-(4-fluorophenyl)-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-3-methylpyrazole-4-carboxamide
CID 55657030
5-methyl-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]-1,2-oxazole-3-carboxamide
CID 39727257
N-[4-(4-ethylpiperazin-1-yl)phenyl]-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide
CID 46671077
5-chloro-1-(4-fluorophenyl)-3-methyl-N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]pyrazole-4-carboxamide
CID 56583697
N-(4-acetamido-3-methylphenyl)-5-chloro-3-methyl-1-phenylpyrazole-4-carboxamide
CID 1147396
N-(3-chloro-4-methoxyphenyl)-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide
CID 26245553
[2-(3,4-dimethylanilino)-2-oxoethyl] 5-chloro-1-(4-fluorophenyl)-3-methylpyrazole-4-carboxylate
CID 7691024

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-(4-fluorophenyl)-3-methyl-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]pyrazole-4-carboxamide?
The IUPAC name of 5-chloro-1-(4-fluorophenyl)-3-methyl-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]pyrazole-4-carboxamide (CID 134016397) is 5-chloro-1-(4-fluorophenyl)-3-methyl-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]pyrazole-4-carboxamide.
What is the SMILES notation for 5-chloro-1-(4-fluorophenyl)-3-methyl-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]pyrazole-4-carboxamide?
The canonical SMILES for 5-chloro-1-(4-fluorophenyl)-3-methyl-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]pyrazole-4-carboxamide is Cc1cc(NC(=O)c2c(C)nn(-c3ccc(F)cc3)c2Cl)ccc1N1CCN(C)CC1.
What is the InChIKey of 5-chloro-1-(4-fluorophenyl)-3-methyl-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]pyrazole-4-carboxamide?
The InChIKey is OXNZXAWKGPDEEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClFN5O/c1-15-14-18(6-9-20(15)29-12-10-28(3)11-13-29)26-23(31)21-16(2)27-30(22(21)24)19-7-4-17(25)5-8-19/h4-9,14H,10-13H2,1-3H3,(H,26,31).
What are the key properties of 5-chloro-1-(4-fluorophenyl)-3-methyl-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]pyrazole-4-carboxamide?
5-chloro-1-(4-fluorophenyl)-3-methyl-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]pyrazole-4-carboxamide has a molecular weight of 441.94 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-(4-fluorophenyl)-3-methyl-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]pyrazole-4-carboxamide is sourced from PubChem (CID 134016397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).