5-chloro-3-methyl-1-[(4-methylphenyl)methyl]-N-(1-pyrimidin-2-ylpiperidin-3-yl)pyrazole-4-carboxamide

C22H25ClN6O — CID 55804022

IUPAC5-chloro-3-methyl-1-[(4-methylphenyl)methyl]-N-(1-pyrimidin-2-ylpiperidin-3-yl)pyrazole-4-carboxamide
SMILESCc1ccc(Cn2nc(C)c(C(=O)NC3CCCN(c4ncccn4)C3)c2Cl)cc1
InChIInChI=1S/C22H25ClN6O/c1-15-6-8-17(9-7-15)13-29-20(23)19(16(2)27-29)21(30)26-18-5-3-12-28(14-18)22-24-10-4-11-25-22/h4,6-11,18H,3,5,12-14H2,1-2H3,(H,26,30)
InChIKeyZNYNTGZEONQSAV-UHFFFAOYSA-N
MW424.94 g/mol
LogP3.39
Rot. Bonds5

About 5-chloro-3-methyl-1-[(4-methylphenyl)methyl]-N-(1-pyrimidin-2-ylpiperidin-3-yl)pyrazole-4-carboxamide

5-chloro-3-methyl-1-[(4-methylphenyl)methyl]-N-(1-pyrimidin-2-ylpiperidin-3-yl)pyrazole-4-carboxamide (PubChem CID 55804022) has the molecular formula C22H25ClN6O and a molecular weight of 424.94 g/mol. Its IUPAC name is 5-chloro-3-methyl-1-[(4-methylphenyl)methyl]-N-(1-pyrimidin-2-ylpiperidin-3-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-chloro-3-methyl-1-[(4-methylphenyl)methyl]-N-(1-pyrimidin-2-ylpiperidin-3-yl)pyrazole-4-carboxamide
PubChem CID55804022
Molecular FormulaC22H25ClN6O
Molecular Weight424.94 g/mol
Exact Mass424.18
IUPAC Name5-chloro-3-methyl-1-[(4-methylphenyl)methyl]-N-(1-pyrimidin-2-ylpiperidin-3-yl)pyrazole-4-carboxamide
SMILESCc1ccc(Cn2nc(C)c(C(=O)NC3CCCN(c4ncccn4)C3)c2Cl)cc1
InChIInChI=1S/C22H25ClN6O/c1-15-6-8-17(9-7-15)13-29-20(23)19(16(2)27-29)21(30)26-18-5-3-12-28(14-18)22-24-10-4-11-25-22/h4,6-11,18H,3,5,12-14H2,1-2H3,(H,26,30)
InChIKeyZNYNTGZEONQSAV-UHFFFAOYSA-N
XLogP3.39
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.94
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-chloro-3-methyl-1-[(4-methylphenyl)methyl]-N-(1-pyrimidin-2-ylpiperidin-4-yl)pyrazole-4-carboxamide
CID 55721141
5-chloro-3-methyl-1-[(4-methylphenyl)methyl]-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]pyrazole-4-carboxamide
CID 39540577
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]benzamide
CID 42239963
5-chloro-3-methyl-1-[(4-methylphenyl)methyl]-N-[2-(2-methylpropanoylamino)ethyl]pyrazole-4-carboxamide
CID 31365143
5-chloro-1-[(2-chlorophenyl)methyl]-N-cyclohexyl-3-methylpyrazole-4-carboxamide
CID 29200902
5-chloro-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide
CID 55783366
3-ethyl-5-methyl-N-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]-1,2-oxazole-4-carboxamide
CID 42556906
5-chloro-N-(3-hydroxybutyl)-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide
CID 111429075
2-(3-chlorophenyl)-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]acetamide
CID 42592251
4-(4-chlorophenyl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)butanamide
CID 70737771
3-(2,5-dimethylphenoxy)-N-(1-pyrimidin-2-ylpiperidin-3-yl)propanamide
CID 71893149
5-chloro-3-methyl-1-[(4-methylphenyl)methyl]-N-(3-phenylpropyl)pyrazole-4-carboxamide
CID 27647040

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-methyl-1-[(4-methylphenyl)methyl]-N-(1-pyrimidin-2-ylpiperidin-3-yl)pyrazole-4-carboxamide?
The IUPAC name of 5-chloro-3-methyl-1-[(4-methylphenyl)methyl]-N-(1-pyrimidin-2-ylpiperidin-3-yl)pyrazole-4-carboxamide (CID 55804022) is 5-chloro-3-methyl-1-[(4-methylphenyl)methyl]-N-(1-pyrimidin-2-ylpiperidin-3-yl)pyrazole-4-carboxamide.
What is the SMILES notation for 5-chloro-3-methyl-1-[(4-methylphenyl)methyl]-N-(1-pyrimidin-2-ylpiperidin-3-yl)pyrazole-4-carboxamide?
The canonical SMILES for 5-chloro-3-methyl-1-[(4-methylphenyl)methyl]-N-(1-pyrimidin-2-ylpiperidin-3-yl)pyrazole-4-carboxamide is Cc1ccc(Cn2nc(C)c(C(=O)NC3CCCN(c4ncccn4)C3)c2Cl)cc1.
What is the InChIKey of 5-chloro-3-methyl-1-[(4-methylphenyl)methyl]-N-(1-pyrimidin-2-ylpiperidin-3-yl)pyrazole-4-carboxamide?
The InChIKey is ZNYNTGZEONQSAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN6O/c1-15-6-8-17(9-7-15)13-29-20(23)19(16(2)27-29)21(30)26-18-5-3-12-28(14-18)22-24-10-4-11-25-22/h4,6-11,18H,3,5,12-14H2,1-2H3,(H,26,30).
What are the key properties of 5-chloro-3-methyl-1-[(4-methylphenyl)methyl]-N-(1-pyrimidin-2-ylpiperidin-3-yl)pyrazole-4-carboxamide?
5-chloro-3-methyl-1-[(4-methylphenyl)methyl]-N-(1-pyrimidin-2-ylpiperidin-3-yl)pyrazole-4-carboxamide has a molecular weight of 424.94 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-methyl-1-[(4-methylphenyl)methyl]-N-(1-pyrimidin-2-ylpiperidin-3-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 55804022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).