5-(2-chlorophenyl)-N-(2-methylpiperidin-4-yl)-1H-pyrazole-4-carboxamide

C16H19ClN4O — CID 120599794

IUPAC5-(2-chlorophenyl)-N-(2-methylpiperidin-4-yl)-1H-pyrazole-4-carboxamide
SMILESCC1CC(NC(=O)c2cn[nH]c2-c2ccccc2Cl)CCN1
InChIInChI=1S/C16H19ClN4O/c1-10-8-11(6-7-18-10)20-16(22)13-9-19-21-15(13)12-4-2-3-5-14(12)17/h2-5,9-11,18H,6-8H2,1H3,(H,19,21)(H,20,22)
InChIKeyXXKPKGUIXIYZGB-UHFFFAOYSA-N
MW318.81 g/mol
LogP2.60
Rot. Bonds3

About 5-(2-chlorophenyl)-N-(2-methylpiperidin-4-yl)-1H-pyrazole-4-carboxamide

5-(2-chlorophenyl)-N-(2-methylpiperidin-4-yl)-1H-pyrazole-4-carboxamide (PubChem CID 120599794) has the molecular formula C16H19ClN4O and a molecular weight of 318.81 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-N-(2-methylpiperidin-4-yl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-(2-chlorophenyl)-N-(2-methylpiperidin-4-yl)-1H-pyrazole-4-carboxamide
PubChem CID120599794
Molecular FormulaC16H19ClN4O
Molecular Weight318.81 g/mol
Exact Mass318.12
IUPAC Name5-(2-chlorophenyl)-N-(2-methylpiperidin-4-yl)-1H-pyrazole-4-carboxamide
SMILESCC1CC(NC(=O)c2cn[nH]c2-c2ccccc2Cl)CCN1
InChIInChI=1S/C16H19ClN4O/c1-10-8-11(6-7-18-10)20-16(22)13-9-19-21-15(13)12-4-2-3-5-14(12)17/h2-5,9-11,18H,6-8H2,1H3,(H,19,21)(H,20,22)
InChIKeyXXKPKGUIXIYZGB-UHFFFAOYSA-N
XLogP2.60
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.81
LogP ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2-fluorophenyl)-N-(2-methylpiperidin-4-yl)-1H-pyrazole-4-carboxamide
CID 120599770
3-(2-chlorophenyl)-1-methyl-N-(2-methylpiperidin-4-yl)pyrazole-4-carboxamide;hydrochloride
CID 120597925
5-chloro-2-methyl-N-(2-methylpiperidin-4-yl)benzamide
CID 106995605
5-(2-chlorophenyl)-N-(5-oxa-2-azaspiro[3.4]octan-7-yl)-1H-pyrazole-4-carboxamide
CID 154766632
2-iodo-N-(2-methylpiperidin-4-yl)benzamide
CID 106995591
1-benzyl-5-ethyl-N-(2-methylpiperidin-4-yl)pyrazole-4-carboxamide
CID 120601726
2-chloro-N-(2-methylpiperidin-4-yl)-5-methylsulfanylbenzamide
CID 106995122
5-(2-chlorophenyl)-N-(2-piperidin-3-ylethyl)-1H-pyrazole-4-carboxamide
CID 119558985
N-[2-(carbamoylamino)ethyl]-5-(2-chlorophenyl)-1H-pyrazole-4-carboxamide
CID 155951273
2-(2-chlorophenyl)sulfanyl-N-(2-methylpiperidin-4-yl)-2-phenylacetamide
CID 120599851
2-bromo-N-(2-methylpiperidin-4-yl)furan-3-carboxamide
CID 106995322
N-(2-amino-2-methylpropyl)-5-(2-chlorophenyl)-1H-pyrazole-4-carboxamide;hydrochloride
CID 119630152

Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-N-(2-methylpiperidin-4-yl)-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-(2-chlorophenyl)-N-(2-methylpiperidin-4-yl)-1H-pyrazole-4-carboxamide (CID 120599794) is 5-(2-chlorophenyl)-N-(2-methylpiperidin-4-yl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-(2-chlorophenyl)-N-(2-methylpiperidin-4-yl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-(2-chlorophenyl)-N-(2-methylpiperidin-4-yl)-1H-pyrazole-4-carboxamide is CC1CC(NC(=O)c2cn[nH]c2-c2ccccc2Cl)CCN1.
What is the InChIKey of 5-(2-chlorophenyl)-N-(2-methylpiperidin-4-yl)-1H-pyrazole-4-carboxamide?
The InChIKey is XXKPKGUIXIYZGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4O/c1-10-8-11(6-7-18-10)20-16(22)13-9-19-21-15(13)12-4-2-3-5-14(12)17/h2-5,9-11,18H,6-8H2,1H3,(H,19,21)(H,20,22).
What are the key properties of 5-(2-chlorophenyl)-N-(2-methylpiperidin-4-yl)-1H-pyrazole-4-carboxamide?
5-(2-chlorophenyl)-N-(2-methylpiperidin-4-yl)-1H-pyrazole-4-carboxamide has a molecular weight of 318.81 g/mol, XLogP of 2.60, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-N-(2-methylpiperidin-4-yl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 120599794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).