2-chloro-N-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]benzamide

C17H21ClN4O — CID 24793136

IUPAC2-chloro-N-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]benzamide
SMILESCCN1CCC(n2nccc2NC(=O)c2ccccc2Cl)CC1
InChIInChI=1S/C17H21ClN4O/c1-2-21-11-8-13(9-12-21)22-16(7-10-19-22)20-17(23)14-5-3-4-6-15(14)18/h3-7,10,13H,2,8-9,11-12H2,1H3,(H,20,23)
InChIKeyIKBCZFKRHVOLAG-UHFFFAOYSA-N
MW332.84 g/mol
LogP3.45
Rot. Bonds4

About 2-chloro-N-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]benzamide

2-chloro-N-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]benzamide (PubChem CID 24793136) has the molecular formula C17H21ClN4O and a molecular weight of 332.84 g/mol. Its IUPAC name is 2-chloro-N-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]benzamide
PubChem CID24793136
Molecular FormulaC17H21ClN4O
Molecular Weight332.84 g/mol
Exact Mass332.14
IUPAC Name2-chloro-N-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]benzamide
SMILESCCN1CCC(n2nccc2NC(=O)c2ccccc2Cl)CC1
InChIInChI=1S/C17H21ClN4O/c1-2-21-11-8-13(9-12-21)22-16(7-10-19-22)20-17(23)14-5-3-4-6-15(14)18/h3-7,10,13H,2,8-9,11-12H2,1H3,(H,20,23)
InChIKeyIKBCZFKRHVOLAG-UHFFFAOYSA-N
XLogP3.45
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.84
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]-1-benzofuran-3-carboxamide
CID 126775005
2-chloro-N-[2-[1-[(3-hydroxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide
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2-chloro-N-[2-[1-(2,6-dimethylhept-5-enyl)piperidin-4-yl]pyrazol-3-yl]benzamide
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5-amino-N-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]-2-methylbenzamide
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4-(aminomethyl)-N-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]benzamide
CID 119836594
5-amino-N-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]-2-methylbenzamide;dihydrochloride
CID 120640532
N-[2-(1-benzylpiperidin-4-yl)pyrazol-3-yl]-2-methoxybenzamide
CID 25450557
N-[2-[1-[2-(dimethylamino)-2-oxoethyl]piperidin-4-yl]pyrazol-3-yl]-2-methylbenzamide
CID 56749459
1-(2-chlorophenyl)-3-[2-[1-[(4-ethylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]urea
CID 26321155
N-(2-cyclopentylpyrazol-3-yl)-2-methylbenzamide
CID 78793945
N-[2-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide
CID 42211407
N-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]-3-(2-fluorophenyl)-1,2-oxazole-5-carboxamide
CID 46970730

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]benzamide?
The IUPAC name of 2-chloro-N-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]benzamide (CID 24793136) is 2-chloro-N-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]benzamide.
What is the SMILES notation for 2-chloro-N-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]benzamide?
The canonical SMILES for 2-chloro-N-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]benzamide is CCN1CCC(n2nccc2NC(=O)c2ccccc2Cl)CC1.
What is the InChIKey of 2-chloro-N-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]benzamide?
The InChIKey is IKBCZFKRHVOLAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4O/c1-2-21-11-8-13(9-12-21)22-16(7-10-19-22)20-17(23)14-5-3-4-6-15(14)18/h3-7,10,13H,2,8-9,11-12H2,1H3,(H,20,23).
What are the key properties of 2-chloro-N-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]benzamide?
2-chloro-N-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]benzamide has a molecular weight of 332.84 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]benzamide is sourced from PubChem (CID 24793136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).