1-(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]-5-piperidin-4-ylpyrazole-4-carboxamide

C23H25ClN4O2 — CID 20924020

IUPAC1-(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]-5-piperidin-4-ylpyrazole-4-carboxamide
SMILESCOc1ccc(CNC(=O)c2cnn(-c3ccc(Cl)cc3)c2C2CCNCC2)cc1
InChIInChI=1S/C23H25ClN4O2/c1-30-20-8-2-16(3-9-20)14-26-23(29)21-15-27-28(19-6-4-18(24)5-7-19)22(21)17-10-12-25-13-11-17/h2-9,15,17,25H,10-14H2,1H3,(H,26,29)
InChIKeyDIDZJDMWXOKJDD-UHFFFAOYSA-N
MW424.93 g/mol
LogP3.93
Rot. Bonds6

About 1-(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]-5-piperidin-4-ylpyrazole-4-carboxamide

1-(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]-5-piperidin-4-ylpyrazole-4-carboxamide (PubChem CID 20924020) has the molecular formula C23H25ClN4O2 and a molecular weight of 424.93 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]-5-piperidin-4-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]-5-piperidin-4-ylpyrazole-4-carboxamide
PubChem CID20924020
Molecular FormulaC23H25ClN4O2
Molecular Weight424.93 g/mol
Exact Mass424.17
IUPAC Name1-(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]-5-piperidin-4-ylpyrazole-4-carboxamide
SMILESCOc1ccc(CNC(=O)c2cnn(-c3ccc(Cl)cc3)c2C2CCNCC2)cc1
InChIInChI=1S/C23H25ClN4O2/c1-30-20-8-2-16(3-9-20)14-26-23(29)21-15-27-28(19-6-4-18(24)5-7-19)22(21)17-10-12-25-13-11-17/h2-9,15,17,25H,10-14H2,1H3,(H,26,29)
InChIKeyDIDZJDMWXOKJDD-UHFFFAOYSA-N
XLogP3.93
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.93
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-1-(4-chlorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide
CID 20924021
N,1-bis(4-methoxyphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide
CID 20953785
1-(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 46666819
1-(3-chloro-4-methylphenyl)-N-[(4-fluorophenyl)methyl]-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride
CID 146053238
N-(4-methoxyphenyl)-1-(4-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide
CID 20953848
1-(4-chlorophenyl)-5-piperidin-4-yl-N-(3,4,5-trimethoxyphenyl)pyrazole-4-carboxamide;hydrochloride
CID 146059779
tert-butyl 4-[4-[(4-methoxyphenyl)methylcarbamoyl]-1-phenylpyrazol-5-yl]piperidine-1-carboxylate
CID 122175656
[4-(3-chlorophenyl)piperazin-1-yl]-[1-(4-methoxyphenyl)-5-piperidin-4-ylpyrazol-4-yl]methanone
CID 20924097
N-(4-bromophenyl)-1-(4-chlorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide
CID 20924035
N-[2-(4-chlorophenyl)ethyl]-1-(4-methoxyphenyl)-5-methylpyrazole-4-carboxamide
CID 91440664
5-cyclopropyl-1-(4-methoxyphenyl)pyrazole-4-carboxylic acid
CID 63173747
N-[2-(2,5-dimethoxyphenyl)ethyl]-1-(4-nitrophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide
CID 46280284

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]-5-piperidin-4-ylpyrazole-4-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]-5-piperidin-4-ylpyrazole-4-carboxamide (CID 20924020) is 1-(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]-5-piperidin-4-ylpyrazole-4-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]-5-piperidin-4-ylpyrazole-4-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]-5-piperidin-4-ylpyrazole-4-carboxamide is COc1ccc(CNC(=O)c2cnn(-c3ccc(Cl)cc3)c2C2CCNCC2)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]-5-piperidin-4-ylpyrazole-4-carboxamide?
The InChIKey is DIDZJDMWXOKJDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN4O2/c1-30-20-8-2-16(3-9-20)14-26-23(29)21-15-27-28(19-6-4-18(24)5-7-19)22(21)17-10-12-25-13-11-17/h2-9,15,17,25H,10-14H2,1H3,(H,26,29).
What are the key properties of 1-(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]-5-piperidin-4-ylpyrazole-4-carboxamide?
1-(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]-5-piperidin-4-ylpyrazole-4-carboxamide has a molecular weight of 424.93 g/mol, XLogP of 3.93, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]-5-piperidin-4-ylpyrazole-4-carboxamide is sourced from PubChem (CID 20924020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).