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

C17H17F3N4O2 — CID 100676203

IUPAC5-[(2R)-1-[2-(trifluoromethyl)benzoyl]piperidin-2-yl]-1H-pyrazole-3-carboxamide
SMILESNC(=O)c1cc([C@H]2CCCCN2C(=O)c2ccccc2C(F)(F)F)[nH]n1
InChIInChI=1S/C17H17F3N4O2/c18-17(19,20)11-6-2-1-5-10(11)16(26)24-8-4-3-7-14(24)12-9-13(15(21)25)23-22-12/h1-2,5-6,9,14H,3-4,7-8H2,(H2,21,25)(H,22,23)/t14-/m1/s1
InChIKeyYGXMSRJZSSBIMF-CQSZACIVSA-N
MW366.34 g/mol
LogP2.89
Rot. Bonds3

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

5-[(2R)-1-[2-(trifluoromethyl)benzoyl]piperidin-2-yl]-1H-pyrazole-3-carboxamide (PubChem CID 100676203) has the molecular formula C17H17F3N4O2 and a molecular weight of 366.34 g/mol. Its IUPAC name is 5-[(2R)-1-[2-(trifluoromethyl)benzoyl]piperidin-2-yl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-[(2R)-1-[2-(trifluoromethyl)benzoyl]piperidin-2-yl]-1H-pyrazole-3-carboxamide
PubChem CID100676203
Molecular FormulaC17H17F3N4O2
Molecular Weight366.34 g/mol
Exact Mass366.13
IUPAC Name5-[(2R)-1-[2-(trifluoromethyl)benzoyl]piperidin-2-yl]-1H-pyrazole-3-carboxamide
SMILESNC(=O)c1cc([C@H]2CCCCN2C(=O)c2ccccc2C(F)(F)F)[nH]n1
InChIInChI=1S/C17H17F3N4O2/c18-17(19,20)11-6-2-1-5-10(11)16(26)24-8-4-3-7-14(24)12-9-13(15(21)25)23-22-12/h1-2,5-6,9,14H,3-4,7-8H2,(H2,21,25)(H,22,23)/t14-/m1/s1
InChIKeyYGXMSRJZSSBIMF-CQSZACIVSA-N
XLogP2.89
TPSA92.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.34
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(2R)-1-(2-methylsulfanylbenzoyl)piperidin-2-yl]-1H-pyrazole-3-carboxamide
CID 100676612
5-[(2R)-1-(2-ethoxypyridine-3-carbonyl)piperidin-2-yl]-1H-pyrazole-3-carboxamide
CID 100677325
5-[(2R)-1-(3-chlorobenzoyl)piperidin-2-yl]-1H-pyrazole-3-carboxamide
CID 100676115
5-[(2S)-1-(5-chloro-6-oxo-1H-pyridine-3-carbonyl)piperidin-2-yl]-1H-pyrazole-3-carboxamide
CID 100677443
1-ethyl-N-[5-[1-[2-methyl-3-(trifluoromethyl)benzoyl]piperidin-2-yl]-1H-pyrazol-3-yl]-3-propan-2-ylpyrazole-5-carboxamide
CID 171681141
1-[2-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone
CID 73439316
(2-chlorophenyl)-[2-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 123681411
[(2R)-2-(3-fluorophenyl)piperidin-1-yl]-[5-(trifluoromethyl)-1H-pyrazol-3-yl]methanone
CID 124751149
N-cyclopentyl-5-[1-(pyridine-3-carbonyl)piperidin-2-yl]-1H-pyrazole-3-carboxamide
CID 110268878
(4-chloropiperidin-1-yl)-[2-(trifluoromethyl)phenyl]methanone
CID 63391010
[2-[3-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 110268862
1-[2-[3-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone
CID 110268834

Frequently Asked Questions

What is the IUPAC name of 5-[(2R)-1-[2-(trifluoromethyl)benzoyl]piperidin-2-yl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-[(2R)-1-[2-(trifluoromethyl)benzoyl]piperidin-2-yl]-1H-pyrazole-3-carboxamide (CID 100676203) is 5-[(2R)-1-[2-(trifluoromethyl)benzoyl]piperidin-2-yl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-[(2R)-1-[2-(trifluoromethyl)benzoyl]piperidin-2-yl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-[(2R)-1-[2-(trifluoromethyl)benzoyl]piperidin-2-yl]-1H-pyrazole-3-carboxamide is NC(=O)c1cc([C@H]2CCCCN2C(=O)c2ccccc2C(F)(F)F)[nH]n1.
What is the InChIKey of 5-[(2R)-1-[2-(trifluoromethyl)benzoyl]piperidin-2-yl]-1H-pyrazole-3-carboxamide?
The InChIKey is YGXMSRJZSSBIMF-CQSZACIVSA-N. The full InChI is InChI=1S/C17H17F3N4O2/c18-17(19,20)11-6-2-1-5-10(11)16(26)24-8-4-3-7-14(24)12-9-13(15(21)25)23-22-12/h1-2,5-6,9,14H,3-4,7-8H2,(H2,21,25)(H,22,23)/t14-/m1/s1.
What are the key properties of 5-[(2R)-1-[2-(trifluoromethyl)benzoyl]piperidin-2-yl]-1H-pyrazole-3-carboxamide?
5-[(2R)-1-[2-(trifluoromethyl)benzoyl]piperidin-2-yl]-1H-pyrazole-3-carboxamide has a molecular weight of 366.34 g/mol, XLogP of 2.89, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R)-1-[2-(trifluoromethyl)benzoyl]piperidin-2-yl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 100676203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).