5-(4-chlorophenyl)-4-methyl-1-phenyl-N-piperidin-1-ylpyrazole-3-carboxamide

C22H23ClN4O — CID 86271988

IUPAC5-(4-chlorophenyl)-4-methyl-1-phenyl-N-piperidin-1-ylpyrazole-3-carboxamide
SMILESCc1c(C(=O)NN2CCCCC2)nn(-c2ccccc2)c1-c1ccc(Cl)cc1
InChIInChI=1S/C22H23ClN4O/c1-16-20(22(28)25-26-14-6-3-7-15-26)24-27(19-8-4-2-5-9-19)21(16)17-10-12-18(23)13-11-17/h2,4-5,8-13H,3,6-7,14-15H2,1H3,(H,25,28)
InChIKeyLEOFTEWITDJNRZ-UHFFFAOYSA-N
MW394.91 g/mol
LogP4.63
Rot. Bonds4

About 5-(4-chlorophenyl)-4-methyl-1-phenyl-N-piperidin-1-ylpyrazole-3-carboxamide

5-(4-chlorophenyl)-4-methyl-1-phenyl-N-piperidin-1-ylpyrazole-3-carboxamide (PubChem CID 86271988) has the molecular formula C22H23ClN4O and a molecular weight of 394.91 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-4-methyl-1-phenyl-N-piperidin-1-ylpyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-4-methyl-1-phenyl-N-piperidin-1-ylpyrazole-3-carboxamide
PubChem CID86271988
Molecular FormulaC22H23ClN4O
Molecular Weight394.91 g/mol
Exact Mass394.16
IUPAC Name5-(4-chlorophenyl)-4-methyl-1-phenyl-N-piperidin-1-ylpyrazole-3-carboxamide
SMILESCc1c(C(=O)NN2CCCCC2)nn(-c2ccccc2)c1-c1ccc(Cl)cc1
InChIInChI=1S/C22H23ClN4O/c1-16-20(22(28)25-26-14-6-3-7-15-26)24-27(19-8-4-2-5-9-19)21(16)17-10-12-18(23)13-11-17/h2,4-5,8-13H,3,6-7,14-15H2,1H3,(H,25,28)
InChIKeyLEOFTEWITDJNRZ-UHFFFAOYSA-N
XLogP4.63
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.91
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[5-(4-chlorophenyl)-4-methyl-3-(piperidin-1-ylcarbamoyl)pyrazol-1-yl]phenoxy]acetic acid
CID 59217895
2-[1-(4-chlorophenyl)-4-methyl-3-(piperidin-1-ylcarbamoyl)pyrazol-5-yl]benzoic acid
CID 46244285
5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide;sulfuric acid
CID 25026422
4-[4-[1-(2,4-dichlorophenyl)-4-methyl-3-(piperidin-1-ylcarbamoyl)pyrazol-5-yl]phenyl]benzoic acid
CID 155542177
1-(2,4-dichlorophenyl)-5-(4-iodophenyl)-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide;hydrochloride
CID 46837031
N-(azepan-1-yl)-5-(4-bromophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carboxamide
CID 10506183
1,5-bis(4-chlorophenyl)-4-methylpyrazole-3-carboxylic acid
CID 66641410
1-(2,4-dichlorophenyl)-5-[4-(hydroxycarbamoyl)phenyl]-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide
CID 162713195
5-(4-cyclopropylphenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide
CID 24991147
1-(2,4-dichlorophenyl)-4-methyl-N-piperidin-1-yl-5-[4-(2-sulfanylethyl)phenyl]pyrazole-3-carboxamide
CID 88873863
1-(2,4-dichlorophenyl)-5-[4-(3-hydroxyprop-1-ynyl)phenyl]-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide
CID 59232565
1-(2,4-dichlorophenyl)-4-methyl-5-[4-(2-methylcyclopropyl)phenyl]-N-piperidin-1-ylpyrazole-3-carboxamide
CID 71089151

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-4-methyl-1-phenyl-N-piperidin-1-ylpyrazole-3-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-4-methyl-1-phenyl-N-piperidin-1-ylpyrazole-3-carboxamide (CID 86271988) is 5-(4-chlorophenyl)-4-methyl-1-phenyl-N-piperidin-1-ylpyrazole-3-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-4-methyl-1-phenyl-N-piperidin-1-ylpyrazole-3-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-4-methyl-1-phenyl-N-piperidin-1-ylpyrazole-3-carboxamide is Cc1c(C(=O)NN2CCCCC2)nn(-c2ccccc2)c1-c1ccc(Cl)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-4-methyl-1-phenyl-N-piperidin-1-ylpyrazole-3-carboxamide?
The InChIKey is LEOFTEWITDJNRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN4O/c1-16-20(22(28)25-26-14-6-3-7-15-26)24-27(19-8-4-2-5-9-19)21(16)17-10-12-18(23)13-11-17/h2,4-5,8-13H,3,6-7,14-15H2,1H3,(H,25,28).
What are the key properties of 5-(4-chlorophenyl)-4-methyl-1-phenyl-N-piperidin-1-ylpyrazole-3-carboxamide?
5-(4-chlorophenyl)-4-methyl-1-phenyl-N-piperidin-1-ylpyrazole-3-carboxamide has a molecular weight of 394.91 g/mol, XLogP of 4.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-4-methyl-1-phenyl-N-piperidin-1-ylpyrazole-3-carboxamide is sourced from PubChem (CID 86271988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).