N-(3-chloro-2-methylphenyl)-1-(3,4-dimethylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide

C24H27ClN4O — CID 20923962

IUPACN-(3-chloro-2-methylphenyl)-1-(3,4-dimethylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide
SMILESCc1ccc(-n2ncc(C(=O)Nc3cccc(Cl)c3C)c2C2CCNCC2)cc1C
InChIInChI=1S/C24H27ClN4O/c1-15-7-8-19(13-16(15)2)29-23(18-9-11-26-12-10-18)20(14-27-29)24(30)28-22-6-4-5-21(25)17(22)3/h4-8,13-14,18,26H,9-12H2,1-3H3,(H,28,30)
InChIKeyRLUJWONXHXYGHL-UHFFFAOYSA-N
MW422.96 g/mol
LogP5.17
Rot. Bonds4

About N-(3-chloro-2-methylphenyl)-1-(3,4-dimethylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide

N-(3-chloro-2-methylphenyl)-1-(3,4-dimethylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide (PubChem CID 20923962) has the molecular formula C24H27ClN4O and a molecular weight of 422.96 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-1-(3,4-dimethylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-1-(3,4-dimethylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide
PubChem CID20923962
Molecular FormulaC24H27ClN4O
Molecular Weight422.96 g/mol
Exact Mass422.19
IUPAC NameN-(3-chloro-2-methylphenyl)-1-(3,4-dimethylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide
SMILESCc1ccc(-n2ncc(C(=O)Nc3cccc(Cl)c3C)c2C2CCNCC2)cc1C
InChIInChI=1S/C24H27ClN4O/c1-15-7-8-19(13-16(15)2)29-23(18-9-11-26-12-10-18)20(14-27-29)24(30)28-22-6-4-5-21(25)17(22)3/h4-8,13-14,18,26H,9-12H2,1-3H3,(H,28,30)
InChIKeyRLUJWONXHXYGHL-UHFFFAOYSA-N
XLogP5.17
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.96
LogP ≤ 55.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-chloro-4-methylphenyl)-N-(2,3-dimethylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide
CID 20867340
1-(3,4-dimethylphenyl)-N-(2-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide
CID 20923975
1-(3-chloro-4-methylphenyl)-N-(3,4-dimethylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide
CID 20867343
1-(3-chloro-4-methylphenyl)-N-(2,5-dimethylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide
CID 20924089
N-(2,3-dimethylphenyl)-1-phenyl-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride
CID 146053304
N-(2-chloro-4-methylphenyl)-1-(4-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide
CID 20923939
N-(4-chloro-2-methoxy-5-methylphenyl)-1-(3-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride
CID 146053366
N-(2,5-dichlorophenyl)-1-(4-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide chloride
CID 53347568
N-(5-chloro-2,4-dimethoxyphenyl)-1-(3-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide
CID 20924163
N-(2,4-dimethylphenyl)-1-(4-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride
CID 146059758
1-(3-chloro-4-methylphenyl)-N-(3,5-dimethoxyphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride
CID 146051847
N-(5-chloro-2,4-dimethoxyphenyl)-1-(3-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride
CID 146053338

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-1-(3,4-dimethylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-1-(3,4-dimethylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide (CID 20923962) is N-(3-chloro-2-methylphenyl)-1-(3,4-dimethylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-1-(3,4-dimethylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-1-(3,4-dimethylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide is Cc1ccc(-n2ncc(C(=O)Nc3cccc(Cl)c3C)c2C2CCNCC2)cc1C.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-1-(3,4-dimethylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide?
The InChIKey is RLUJWONXHXYGHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClN4O/c1-15-7-8-19(13-16(15)2)29-23(18-9-11-26-12-10-18)20(14-27-29)24(30)28-22-6-4-5-21(25)17(22)3/h4-8,13-14,18,26H,9-12H2,1-3H3,(H,28,30).
What are the key properties of N-(3-chloro-2-methylphenyl)-1-(3,4-dimethylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide?
N-(3-chloro-2-methylphenyl)-1-(3,4-dimethylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide has a molecular weight of 422.96 g/mol, XLogP of 5.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-1-(3,4-dimethylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide is sourced from PubChem (CID 20923962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).