5-[(2R)-1-(3-chlorobenzoyl)piperidin-2-yl]-1H-pyrazole-3-carboxamide

C16H17ClN4O2 — CID 100676115

IUPAC5-[(2R)-1-(3-chlorobenzoyl)piperidin-2-yl]-1H-pyrazole-3-carboxamide
SMILESNC(=O)c1cc([C@H]2CCCCN2C(=O)c2cccc(Cl)c2)[nH]n1
InChIInChI=1S/C16H17ClN4O2/c17-11-5-3-4-10(8-11)16(23)21-7-2-1-6-14(21)12-9-13(15(18)22)20-19-12/h3-5,8-9,14H,1-2,6-7H2,(H2,18,22)(H,19,20)/t14-/m1/s1
InChIKeyBHUWTTWOUWMRGB-CQSZACIVSA-N
MW332.79 g/mol
LogP2.53
Rot. Bonds3

About 5-[(2R)-1-(3-chlorobenzoyl)piperidin-2-yl]-1H-pyrazole-3-carboxamide

5-[(2R)-1-(3-chlorobenzoyl)piperidin-2-yl]-1H-pyrazole-3-carboxamide (PubChem CID 100676115) has the molecular formula C16H17ClN4O2 and a molecular weight of 332.79 g/mol. Its IUPAC name is 5-[(2R)-1-(3-chlorobenzoyl)piperidin-2-yl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-[(2R)-1-(3-chlorobenzoyl)piperidin-2-yl]-1H-pyrazole-3-carboxamide
PubChem CID100676115
Molecular FormulaC16H17ClN4O2
Molecular Weight332.79 g/mol
Exact Mass332.10
IUPAC Name5-[(2R)-1-(3-chlorobenzoyl)piperidin-2-yl]-1H-pyrazole-3-carboxamide
SMILESNC(=O)c1cc([C@H]2CCCCN2C(=O)c2cccc(Cl)c2)[nH]n1
InChIInChI=1S/C16H17ClN4O2/c17-11-5-3-4-10(8-11)16(23)21-7-2-1-6-14(21)12-9-13(15(18)22)20-19-12/h3-5,8-9,14H,1-2,6-7H2,(H2,18,22)(H,19,20)/t14-/m1/s1
InChIKeyBHUWTTWOUWMRGB-CQSZACIVSA-N
XLogP2.53
TPSA92.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.79
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(2S)-1-(5-chloro-6-oxo-1H-pyridine-3-carbonyl)piperidin-2-yl]-1H-pyrazole-3-carboxamide
CID 100677443
5-[(2R)-1-[2-(trifluoromethyl)benzoyl]piperidin-2-yl]-1H-pyrazole-3-carboxamide
CID 100676203
5-[(2R)-1-(2-methylsulfanylbenzoyl)piperidin-2-yl]-1H-pyrazole-3-carboxamide
CID 100676612
(3-chlorophenyl)-[(2S)-2-(1,2,4-oxadiazol-3-yl)azepan-1-yl]methanone
CID 124617199
(3-chlorophenyl)-(2-pyridin-2-ylpyrrolidin-1-yl)methanone
CID 47380034
5-[(2R)-1-(2-ethoxypyridine-3-carbonyl)piperidin-2-yl]-1H-pyrazole-3-carboxamide
CID 100677325
N-cyclopentyl-5-[1-(pyridine-3-carbonyl)piperidin-2-yl]-1H-pyrazole-3-carboxamide
CID 110268878
(3-chlorophenyl)-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]methanone
CID 51728774
(3-chlorophenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 43421627
(3-chlorophenyl)-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 42760612
(3-chlorophenyl)-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 5188678
(3-chlorophenyl)-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 1206104

Frequently Asked Questions

What is the IUPAC name of 5-[(2R)-1-(3-chlorobenzoyl)piperidin-2-yl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-[(2R)-1-(3-chlorobenzoyl)piperidin-2-yl]-1H-pyrazole-3-carboxamide (CID 100676115) is 5-[(2R)-1-(3-chlorobenzoyl)piperidin-2-yl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-[(2R)-1-(3-chlorobenzoyl)piperidin-2-yl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-[(2R)-1-(3-chlorobenzoyl)piperidin-2-yl]-1H-pyrazole-3-carboxamide is NC(=O)c1cc([C@H]2CCCCN2C(=O)c2cccc(Cl)c2)[nH]n1.
What is the InChIKey of 5-[(2R)-1-(3-chlorobenzoyl)piperidin-2-yl]-1H-pyrazole-3-carboxamide?
The InChIKey is BHUWTTWOUWMRGB-CQSZACIVSA-N. The full InChI is InChI=1S/C16H17ClN4O2/c17-11-5-3-4-10(8-11)16(23)21-7-2-1-6-14(21)12-9-13(15(18)22)20-19-12/h3-5,8-9,14H,1-2,6-7H2,(H2,18,22)(H,19,20)/t14-/m1/s1.
What are the key properties of 5-[(2R)-1-(3-chlorobenzoyl)piperidin-2-yl]-1H-pyrazole-3-carboxamide?
5-[(2R)-1-(3-chlorobenzoyl)piperidin-2-yl]-1H-pyrazole-3-carboxamide has a molecular weight of 332.79 g/mol, XLogP of 2.53, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R)-1-(3-chlorobenzoyl)piperidin-2-yl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 100676115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).