N-(2-chloro-4-methylphenyl)-1-(4-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide

C23H25ClN4O — CID 20923939

IUPACN-(2-chloro-4-methylphenyl)-1-(4-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide
SMILESCc1ccc(-n2ncc(C(=O)Nc3ccc(C)cc3Cl)c2C2CCNCC2)cc1
InChIInChI=1S/C23H25ClN4O/c1-15-3-6-18(7-4-15)28-22(17-9-11-25-12-10-17)19(14-26-28)23(29)27-21-8-5-16(2)13-20(21)24/h3-8,13-14,17,25H,9-12H2,1-2H3,(H,27,29)
InChIKeyFFYFKYQPSZODSH-UHFFFAOYSA-N
MW408.93 g/mol
LogP4.86
Rot. Bonds4

About N-(2-chloro-4-methylphenyl)-1-(4-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide

N-(2-chloro-4-methylphenyl)-1-(4-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide (PubChem CID 20923939) has the molecular formula C23H25ClN4O and a molecular weight of 408.93 g/mol. Its IUPAC name is N-(2-chloro-4-methylphenyl)-1-(4-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-4-methylphenyl)-1-(4-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide
PubChem CID20923939
Molecular FormulaC23H25ClN4O
Molecular Weight408.93 g/mol
Exact Mass408.17
IUPAC NameN-(2-chloro-4-methylphenyl)-1-(4-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide
SMILESCc1ccc(-n2ncc(C(=O)Nc3ccc(C)cc3Cl)c2C2CCNCC2)cc1
InChIInChI=1S/C23H25ClN4O/c1-15-3-6-18(7-4-15)28-22(17-9-11-25-12-10-17)19(14-26-28)23(29)27-21-8-5-16(2)13-20(21)24/h3-8,13-14,17,25H,9-12H2,1-2H3,(H,27,29)
InChIKeyFFYFKYQPSZODSH-UHFFFAOYSA-N
XLogP4.86
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.93
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,4-dimethylphenyl)-1-(4-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride
CID 146059758
N-(2,5-dichlorophenyl)-1-(4-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide chloride
CID 53347568
1-(3-chloro-4-methylphenyl)-N-(2,5-dimethylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide
CID 20924089
N-(2,4-dichlorophenyl)-1-(4-nitrophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide
CID 46280275
N-(2-ethylphenyl)-1-(4-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride
CID 146051701
N-cyclohexyl-1-(4-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide
CID 20918586
tert-butyl 4-[4-[(2-chloro-4-methylphenyl)carbamoyl]-1-(4-fluorophenyl)pyrazol-5-yl]piperidine-1-carboxylate
CID 46281444
N-(3-chloro-2-methylphenyl)-1-(3,4-dimethylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide
CID 20923962
1-(3-chloro-4-methylphenyl)-N-(2,3-dimethylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide
CID 20867340
N-(4-methoxyphenyl)-1-(4-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide
CID 20953848
N-(3-chloro-5-methylphenyl)-1-(4-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide
CID 122175687
N-(3-methoxyphenyl)-1-(4-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide
CID 20953833

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-methylphenyl)-1-(4-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide?
The IUPAC name of N-(2-chloro-4-methylphenyl)-1-(4-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide (CID 20923939) is N-(2-chloro-4-methylphenyl)-1-(4-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-(2-chloro-4-methylphenyl)-1-(4-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide?
The canonical SMILES for N-(2-chloro-4-methylphenyl)-1-(4-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide is Cc1ccc(-n2ncc(C(=O)Nc3ccc(C)cc3Cl)c2C2CCNCC2)cc1.
What is the InChIKey of N-(2-chloro-4-methylphenyl)-1-(4-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide?
The InChIKey is FFYFKYQPSZODSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN4O/c1-15-3-6-18(7-4-15)28-22(17-9-11-25-12-10-17)19(14-26-28)23(29)27-21-8-5-16(2)13-20(21)24/h3-8,13-14,17,25H,9-12H2,1-2H3,(H,27,29).
What are the key properties of N-(2-chloro-4-methylphenyl)-1-(4-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide?
N-(2-chloro-4-methylphenyl)-1-(4-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide has a molecular weight of 408.93 g/mol, XLogP of 4.86, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-methylphenyl)-1-(4-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide is sourced from PubChem (CID 20923939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).