5-(2-chlorophenyl)-N-(2-piperidin-3-ylethyl)-1H-pyrazole-4-carboxamide

C17H21ClN4O — CID 119558985

IUPAC5-(2-chlorophenyl)-N-(2-piperidin-3-ylethyl)-1H-pyrazole-4-carboxamide
SMILESO=C(NCCC1CCCNC1)c1cn[nH]c1-c1ccccc1Cl
InChIInChI=1S/C17H21ClN4O/c18-15-6-2-1-5-13(15)16-14(11-21-22-16)17(23)20-9-7-12-4-3-8-19-10-12/h1-2,5-6,11-12,19H,3-4,7-10H2,(H,20,23)(H,21,22)
InChIKeyJIOWCOIAKRFHST-UHFFFAOYSA-N
MW332.83 g/mol
LogP2.85
Rot. Bonds5

About 5-(2-chlorophenyl)-N-(2-piperidin-3-ylethyl)-1H-pyrazole-4-carboxamide

5-(2-chlorophenyl)-N-(2-piperidin-3-ylethyl)-1H-pyrazole-4-carboxamide (PubChem CID 119558985) has the molecular formula C17H21ClN4O and a molecular weight of 332.83 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-N-(2-piperidin-3-ylethyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-(2-chlorophenyl)-N-(2-piperidin-3-ylethyl)-1H-pyrazole-4-carboxamide
PubChem CID119558985
Molecular FormulaC17H21ClN4O
Molecular Weight332.83 g/mol
Exact Mass332.14
IUPAC Name5-(2-chlorophenyl)-N-(2-piperidin-3-ylethyl)-1H-pyrazole-4-carboxamide
SMILESO=C(NCCC1CCCNC1)c1cn[nH]c1-c1ccccc1Cl
InChIInChI=1S/C17H21ClN4O/c18-15-6-2-1-5-13(15)16-14(11-21-22-16)17(23)20-9-7-12-4-3-8-19-10-12/h1-2,5-6,11-12,19H,3-4,7-10H2,(H,20,23)(H,21,22)
InChIKeyJIOWCOIAKRFHST-UHFFFAOYSA-N
XLogP2.85
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.83
LogP ≤ 52.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-tert-butyl-3-(2-chlorophenyl)-N-(2-piperidin-3-ylethyl)pyrazole-4-carboxamide
CID 119555330
5-(3-chlorophenyl)-N-(2-pyrrolidin-3-ylethyl)-1H-pyrazole-4-carboxamide;hydrochloride
CID 119536414
2-(2-chlorophenyl)-N-(2-piperidin-3-ylethyl)-1,3-thiazole-4-carboxamide
CID 119556621
3-chloro-N-(2-piperidin-3-ylethyl)pyridine-4-carboxamide;dihydrochloride
CID 119557407
N-[2-(carbamoylamino)ethyl]-5-(2-chlorophenyl)-1H-pyrazole-4-carboxamide
CID 155951273
2-chloro-6-fluoro-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119559044
2-chloro-4-methyl-N-(2-piperidin-3-ylethyl)benzamide
CID 106862146
1-(2-chlorophenyl)-3-(2-piperidin-3-ylethyl)urea
CID 63628893
3-chloro-2-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 107098145
5-chloro-N-(2-piperidin-3-ylethyl)quinoline-8-carboxamide
CID 119558118
N-(2-piperidin-3-ylethyl)-2-(trifluoromethyl)benzamide
CID 60895336
3-hydroxy-N-(2-piperidin-3-ylethyl)pyridine-4-carboxamide
CID 81445403

Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-N-(2-piperidin-3-ylethyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-(2-chlorophenyl)-N-(2-piperidin-3-ylethyl)-1H-pyrazole-4-carboxamide (CID 119558985) is 5-(2-chlorophenyl)-N-(2-piperidin-3-ylethyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-(2-chlorophenyl)-N-(2-piperidin-3-ylethyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-(2-chlorophenyl)-N-(2-piperidin-3-ylethyl)-1H-pyrazole-4-carboxamide is O=C(NCCC1CCCNC1)c1cn[nH]c1-c1ccccc1Cl.
What is the InChIKey of 5-(2-chlorophenyl)-N-(2-piperidin-3-ylethyl)-1H-pyrazole-4-carboxamide?
The InChIKey is JIOWCOIAKRFHST-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4O/c18-15-6-2-1-5-13(15)16-14(11-21-22-16)17(23)20-9-7-12-4-3-8-19-10-12/h1-2,5-6,11-12,19H,3-4,7-10H2,(H,20,23)(H,21,22).
What are the key properties of 5-(2-chlorophenyl)-N-(2-piperidin-3-ylethyl)-1H-pyrazole-4-carboxamide?
5-(2-chlorophenyl)-N-(2-piperidin-3-ylethyl)-1H-pyrazole-4-carboxamide has a molecular weight of 332.83 g/mol, XLogP of 2.85, 5 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-piperidin-3-ylethyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 119558985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).