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

C24H28N4O — CID 20923975

IUPAC1-(3,4-dimethylphenyl)-N-(2-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide
SMILESCc1ccc(-n2ncc(C(=O)Nc3ccccc3C)c2C2CCNCC2)cc1C
InChIInChI=1S/C24H28N4O/c1-16-8-9-20(14-18(16)3)28-23(19-10-12-25-13-11-19)21(15-26-28)24(29)27-22-7-5-4-6-17(22)2/h4-9,14-15,19,25H,10-13H2,1-3H3,(H,27,29)
InChIKeyGVUDUOXAZZXPAU-UHFFFAOYSA-N
MW388.52 g/mol
LogP4.52
Rot. Bonds4

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

1-(3,4-dimethylphenyl)-N-(2-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide (PubChem CID 20923975) has the molecular formula C24H28N4O and a molecular weight of 388.52 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-N-(2-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-N-(2-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide
PubChem CID20923975
Molecular FormulaC24H28N4O
Molecular Weight388.52 g/mol
Exact Mass388.23
IUPAC Name1-(3,4-dimethylphenyl)-N-(2-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide
SMILESCc1ccc(-n2ncc(C(=O)Nc3ccccc3C)c2C2CCNCC2)cc1C
InChIInChI=1S/C24H28N4O/c1-16-8-9-20(14-18(16)3)28-23(19-10-12-25-13-11-19)21(15-26-28)24(29)27-22-7-5-4-6-17(22)2/h4-9,14-15,19,25H,10-13H2,1-3H3,(H,27,29)
InChIKeyGVUDUOXAZZXPAU-UHFFFAOYSA-N
XLogP4.52
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.52
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-N-(2-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide?
The IUPAC name of 1-(3,4-dimethylphenyl)-N-(2-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide (CID 20923975) is 1-(3,4-dimethylphenyl)-N-(2-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-N-(2-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide?
The canonical SMILES for 1-(3,4-dimethylphenyl)-N-(2-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide is Cc1ccc(-n2ncc(C(=O)Nc3ccccc3C)c2C2CCNCC2)cc1C.
What is the InChIKey of 1-(3,4-dimethylphenyl)-N-(2-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide?
The InChIKey is GVUDUOXAZZXPAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O/c1-16-8-9-20(14-18(16)3)28-23(19-10-12-25-13-11-19)21(15-26-28)24(29)27-22-7-5-4-6-17(22)2/h4-9,14-15,19,25H,10-13H2,1-3H3,(H,27,29).
What are the key properties of 1-(3,4-dimethylphenyl)-N-(2-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide?
1-(3,4-dimethylphenyl)-N-(2-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide has a molecular weight of 388.52 g/mol, XLogP of 4.52, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-N-(2-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide is sourced from PubChem (CID 20923975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).