1-(3-methylphenyl)-N-phenyl-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride

C22H25ClN4O — CID 146053191

IUPAC1-(3-methylphenyl)-N-phenyl-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride
SMILESCc1cccc(-n2ncc(C(=O)Nc3ccccc3)c2C2CCNCC2)c1.Cl
InChIInChI=1S/C22H24N4O.ClH/c1-16-6-5-9-19(14-16)26-21(17-10-12-23-13-11-17)20(15-24-26)22(27)25-18-7-3-2-4-8-18;/h2-9,14-15,17,23H,10-13H2,1H3,(H,25,27);1H
InChIKeyRJYVDHXXWNFQKI-UHFFFAOYSA-N
MW396.92 g/mol
LogP4.32
Rot. Bonds4

About 1-(3-methylphenyl)-N-phenyl-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride

1-(3-methylphenyl)-N-phenyl-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride (PubChem CID 146053191) has the molecular formula C22H25ClN4O and a molecular weight of 396.92 g/mol. Its IUPAC name is 1-(3-methylphenyl)-N-phenyl-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-(3-methylphenyl)-N-phenyl-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride
PubChem CID146053191
Molecular FormulaC22H25ClN4O
Molecular Weight396.92 g/mol
Exact Mass396.17
IUPAC Name1-(3-methylphenyl)-N-phenyl-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride
SMILESCc1cccc(-n2ncc(C(=O)Nc3ccccc3)c2C2CCNCC2)c1.Cl
InChIInChI=1S/C22H24N4O.ClH/c1-16-6-5-9-19(14-16)26-21(17-10-12-23-13-11-17)20(15-24-26)22(27)25-18-7-3-2-4-8-18;/h2-9,14-15,17,23H,10-13H2,1H3,(H,25,27);1H
InChIKeyRJYVDHXXWNFQKI-UHFFFAOYSA-N
XLogP4.32
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.92
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetamidophenyl)-1-(3-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride
CID 146059794
N-(4-chlorophenyl)-1-(3-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride
CID 146053171
N-(4-ethylphenyl)-1-(3-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride
CID 146053168
N-(2-ethoxyphenyl)-1-(3-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride
CID 146059792
N-(2-ethoxyphenyl)-1-(3-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide
CID 20953879
N-(4-acetylphenyl)-1-phenyl-5-piperidin-4-ylpyrazole-4-carboxamide
CID 20953788
N-(4-bromo-3-methylphenyl)-1-phenyl-5-piperidin-4-ylpyrazole-4-carboxamide
CID 20854859
N-(2,3-dimethylphenyl)-1-phenyl-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride
CID 146053304
N-(4-bromophenyl)-1-(3-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride
CID 146053375
N-(3-methoxyphenyl)-1-(4-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide
CID 20953833
N-(2,4-dimethylphenyl)-1-(4-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride
CID 146059758
N,1-bis(4-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide
CID 20867242

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)-N-phenyl-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride?
The IUPAC name of 1-(3-methylphenyl)-N-phenyl-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride (CID 146053191) is 1-(3-methylphenyl)-N-phenyl-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride.
What is the SMILES notation for 1-(3-methylphenyl)-N-phenyl-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride?
The canonical SMILES for 1-(3-methylphenyl)-N-phenyl-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride is Cc1cccc(-n2ncc(C(=O)Nc3ccccc3)c2C2CCNCC2)c1.Cl.
What is the InChIKey of 1-(3-methylphenyl)-N-phenyl-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride?
The InChIKey is RJYVDHXXWNFQKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O.ClH/c1-16-6-5-9-19(14-16)26-21(17-10-12-23-13-11-17)20(15-24-26)22(27)25-18-7-3-2-4-8-18;/h2-9,14-15,17,23H,10-13H2,1H3,(H,25,27);1H.
What are the key properties of 1-(3-methylphenyl)-N-phenyl-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride?
1-(3-methylphenyl)-N-phenyl-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride has a molecular weight of 396.92 g/mol, XLogP of 4.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenyl)-N-phenyl-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 146053191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).