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

C24H27ClN4O2 — CID 6622766

IUPACN-(3-chloro-4-methoxyphenyl)-1-(3,4-dimethylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide
SMILESCOc1ccc(NC(=O)c2cnn(-c3ccc(C)c(C)c3)c2C2CCNCC2)cc1Cl
InChIInChI=1S/C24H27ClN4O2/c1-15-4-6-19(12-16(15)2)29-23(17-8-10-26-11-9-17)20(14-27-29)24(30)28-18-5-7-22(31-3)21(25)13-18/h4-7,12-14,17,26H,8-11H2,1-3H3,(H,28,30)
InChIKeyWWSIFPQASSVTMC-UHFFFAOYSA-N
MW438.96 g/mol
LogP4.87
Rot. Bonds5

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

N-(3-chloro-4-methoxyphenyl)-1-(3,4-dimethylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide (PubChem CID 6622766) has the molecular formula C24H27ClN4O2 and a molecular weight of 438.96 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-1-(3,4-dimethylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-1-(3,4-dimethylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide
PubChem CID6622766
Molecular FormulaC24H27ClN4O2
Molecular Weight438.96 g/mol
Exact Mass438.18
IUPAC NameN-(3-chloro-4-methoxyphenyl)-1-(3,4-dimethylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide
SMILESCOc1ccc(NC(=O)c2cnn(-c3ccc(C)c(C)c3)c2C2CCNCC2)cc1Cl
InChIInChI=1S/C24H27ClN4O2/c1-15-4-6-19(12-16(15)2)29-23(17-8-10-26-11-9-17)20(14-27-29)24(30)28-18-5-7-22(31-3)21(25)13-18/h4-7,12-14,17,26H,8-11H2,1-3H3,(H,28,30)
InChIKeyWWSIFPQASSVTMC-UHFFFAOYSA-N
XLogP4.87
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.96
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-1-(3,4-dimethylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-1-(3,4-dimethylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide (CID 6622766) is N-(3-chloro-4-methoxyphenyl)-1-(3,4-dimethylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-1-(3,4-dimethylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-1-(3,4-dimethylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide is COc1ccc(NC(=O)c2cnn(-c3ccc(C)c(C)c3)c2C2CCNCC2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-1-(3,4-dimethylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide?
The InChIKey is WWSIFPQASSVTMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClN4O2/c1-15-4-6-19(12-16(15)2)29-23(17-8-10-26-11-9-17)20(14-27-29)24(30)28-18-5-7-22(31-3)21(25)13-18/h4-7,12-14,17,26H,8-11H2,1-3H3,(H,28,30).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-1-(3,4-dimethylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide?
N-(3-chloro-4-methoxyphenyl)-1-(3,4-dimethylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide has a molecular weight of 438.96 g/mol, XLogP of 4.87, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-1-(3,4-dimethylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide is sourced from PubChem (CID 6622766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).