1-ethyl-N-[5-[1-[2-methyl-3-(trifluoromethyl)benzoyl]piperidin-2-yl]-1H-pyrazol-3-yl]-3-propan-2-ylpyrazole-5-carboxamide

C26H31F3N6O2 — CID 171681141

IUPAC1-ethyl-N-[5-[1-[2-methyl-3-(trifluoromethyl)benzoyl]piperidin-2-yl]-1H-pyrazol-3-yl]-3-propan-2-ylpyrazole-5-carboxamide
SMILESCCn1nc(C(C)C)cc1C(=O)Nc1cc(C2CCCCN2C(=O)c2cccc(C(F)(F)F)c2C)[nH]n1
InChIInChI=1S/C26H31F3N6O2/c1-5-35-22(13-19(33-35)15(2)3)24(36)30-23-14-20(31-32-23)21-11-6-7-12-34(21)25(37)17-9-8-10-18(16(17)4)26(27,28)29/h8-10,13-15,21H,5-7,11-12H2,1-4H3,(H2,30,31,32,36)
InChIKeyRUVHNRPOEUIUSH-UHFFFAOYSA-N
MW516.57 g/mol
LogP5.70
Rot. Bonds6

About 1-ethyl-N-[5-[1-[2-methyl-3-(trifluoromethyl)benzoyl]piperidin-2-yl]-1H-pyrazol-3-yl]-3-propan-2-ylpyrazole-5-carboxamide

1-ethyl-N-[5-[1-[2-methyl-3-(trifluoromethyl)benzoyl]piperidin-2-yl]-1H-pyrazol-3-yl]-3-propan-2-ylpyrazole-5-carboxamide (PubChem CID 171681141) has the molecular formula C26H31F3N6O2 and a molecular weight of 516.57 g/mol. Its IUPAC name is 1-ethyl-N-[5-[1-[2-methyl-3-(trifluoromethyl)benzoyl]piperidin-2-yl]-1H-pyrazol-3-yl]-3-propan-2-ylpyrazole-5-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-[5-[1-[2-methyl-3-(trifluoromethyl)benzoyl]piperidin-2-yl]-1H-pyrazol-3-yl]-3-propan-2-ylpyrazole-5-carboxamide
PubChem CID171681141
Molecular FormulaC26H31F3N6O2
Molecular Weight516.57 g/mol
Exact Mass516.25
IUPAC Name1-ethyl-N-[5-[1-[2-methyl-3-(trifluoromethyl)benzoyl]piperidin-2-yl]-1H-pyrazol-3-yl]-3-propan-2-ylpyrazole-5-carboxamide
SMILESCCn1nc(C(C)C)cc1C(=O)Nc1cc(C2CCCCN2C(=O)c2cccc(C(F)(F)F)c2C)[nH]n1
InChIInChI=1S/C26H31F3N6O2/c1-5-35-22(13-19(33-35)15(2)3)24(36)30-23-14-20(31-32-23)21-11-6-7-12-34(21)25(37)17-9-8-10-18(16(17)4)26(27,28)29/h8-10,13-15,21H,5-7,11-12H2,1-4H3,(H2,30,31,32,36)
InChIKeyRUVHNRPOEUIUSH-UHFFFAOYSA-N
XLogP5.70
TPSA95.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.57
LogP ≤ 55.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-[1-[2-(4-methylphenyl)propanoyl]piperidin-2-yl]-1H-pyrazol-3-yl]-1-propan-2-yl-4-(trifluoromethyl)pyrrole-3-carboxamide
CID 171684446
5-[(2R)-1-[2-(trifluoromethyl)benzoyl]piperidin-2-yl]-1H-pyrazole-3-carboxamide
CID 100676203
1-methyl-N-[5-[1-(1H-pyrrolo[3,2-c]pyridine-4-carbonyl)piperidin-2-yl]-1H-pyrazol-3-yl]-4-(trifluoromethyl)pyrrole-3-carboxamide
CID 171705707
6-methyl-N-[5-[1-[2-methyl-4-(trifluoromethyl)furan-3-carbonyl]piperidin-2-yl]-1H-pyrazol-3-yl]quinoline-2-carboxamide
CID 171699059
N-[5-[1-(1-phenyl-1,2,4-triazole-3-carbonyl)piperidin-2-yl]-1H-pyrazol-3-yl]pyridine-4-carboxamide
CID 171706065
N-[5-[1-(1-phenyl-1,2,4-triazole-3-carbonyl)piperidin-2-yl]-1H-pyrazol-3-yl]cyclohexanecarboxamide
CID 171706114
1-ethyl-N-[(2-hydroxycyclohexyl)methyl]-3-propan-2-ylpyrazole-5-carboxamide
CID 64928116
1-[2-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone
CID 73439316
N-[4-(cyclopentylcarbamoyl)-2-methylphenyl]-1-ethyl-3-propan-2-ylpyrazole-5-carboxamide
CID 86847947
1-ethyl-N-(2-hydroxy-2-methylpropyl)-3-propan-2-ylpyrazole-5-carboxamide
CID 65109682
[(2R)-2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 92877733
1-ethyl-3-propan-2-yl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrazole-5-carboxamide
CID 103726195

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[5-[1-[2-methyl-3-(trifluoromethyl)benzoyl]piperidin-2-yl]-1H-pyrazol-3-yl]-3-propan-2-ylpyrazole-5-carboxamide?
The IUPAC name of 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) is 1-ethyl-N-[5-[1-[2-methyl-3-(trifluoromethyl)benzoyl]piperidin-2-yl]-1H-pyrazol-3-yl]-3-propan-2-ylpyrazole-5-carboxamide.
What is the SMILES notation for 1-ethyl-N-[5-[1-[2-methyl-3-(trifluoromethyl)benzoyl]piperidin-2-yl]-1H-pyrazol-3-yl]-3-propan-2-ylpyrazole-5-carboxamide?
The canonical SMILES for 1-ethyl-N-[5-[1-[2-methyl-3-(trifluoromethyl)benzoyl]piperidin-2-yl]-1H-pyrazol-3-yl]-3-propan-2-ylpyrazole-5-carboxamide is CCn1nc(C(C)C)cc1C(=O)Nc1cc(C2CCCCN2C(=O)c2cccc(C(F)(F)F)c2C)[nH]n1.
What is the InChIKey of 1-ethyl-N-[5-[1-[2-methyl-3-(trifluoromethyl)benzoyl]piperidin-2-yl]-1H-pyrazol-3-yl]-3-propan-2-ylpyrazole-5-carboxamide?
The InChIKey is RUVHNRPOEUIUSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31F3N6O2/c1-5-35-22(13-19(33-35)15(2)3)24(36)30-23-14-20(31-32-23)21-11-6-7-12-34(21)25(37)17-9-8-10-18(16(17)4)26(27,28)29/h8-10,13-15,21H,5-7,11-12H2,1-4H3,(H2,30,31,32,36).
What are the key properties of 1-ethyl-N-[5-[1-[2-methyl-3-(trifluoromethyl)benzoyl]piperidin-2-yl]-1H-pyrazol-3-yl]-3-propan-2-ylpyrazole-5-carboxamide?
1-ethyl-N-[5-[1-[2-methyl-3-(trifluoromethyl)benzoyl]piperidin-2-yl]-1H-pyrazol-3-yl]-3-propan-2-ylpyrazole-5-carboxamide has a molecular weight of 516.57 g/mol, XLogP of 5.70, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[5-[1-[2-methyl-3-(trifluoromethyl)benzoyl]piperidin-2-yl]-1H-pyrazol-3-yl]-3-propan-2-ylpyrazole-5-carboxamide is sourced from PubChem (CID 171681141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).