2-(1-methylpyrazol-4-yl)-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]piperidine-1-carboxamide

C17H23F3N6O — CID 167987280

IUPAC2-(1-methylpyrazol-4-yl)-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]piperidine-1-carboxamide
SMILESCc1cc(C(F)(F)F)nn1CCNC(=O)N1CCCCC1c1cnn(C)c1
InChIInChI=1S/C17H23F3N6O/c1-12-9-15(17(18,19)20)23-26(12)8-6-21-16(27)25-7-4-3-5-14(25)13-10-22-24(2)11-13/h9-11,14H,3-8H2,1-2H3,(H,21,27)
InChIKeyCDGSWIPYDKDUEE-UHFFFAOYSA-N
MW384.41 g/mol
LogP2.88
Rot. Bonds4

About 2-(1-methylpyrazol-4-yl)-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]piperidine-1-carboxamide

2-(1-methylpyrazol-4-yl)-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]piperidine-1-carboxamide (PubChem CID 167987280) has the molecular formula C17H23F3N6O and a molecular weight of 384.41 g/mol. Its IUPAC name is 2-(1-methylpyrazol-4-yl)-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name2-(1-methylpyrazol-4-yl)-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]piperidine-1-carboxamide
PubChem CID167987280
Molecular FormulaC17H23F3N6O
Molecular Weight384.41 g/mol
Exact Mass384.19
IUPAC Name2-(1-methylpyrazol-4-yl)-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]piperidine-1-carboxamide
SMILESCc1cc(C(F)(F)F)nn1CCNC(=O)N1CCCCC1c1cnn(C)c1
InChIInChI=1S/C17H23F3N6O/c1-12-9-15(17(18,19)20)23-26(12)8-6-21-16(27)25-7-4-3-5-14(25)13-10-22-24(2)11-13/h9-11,14H,3-8H2,1-2H3,(H,21,27)
InChIKeyCDGSWIPYDKDUEE-UHFFFAOYSA-N
XLogP2.88
TPSA67.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.41
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]cyclopentanecarboxamide
CID 35290168
(2S)-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-5-oxopyrrolidine-2-carboxamide
CID 91776394
2-[2-(1-methylpyrazol-4-yl)piperidin-1-yl]-2-oxo-N-[[4-(trifluoromethyl)thiophen-2-yl]methyl]acetamide
CID 167967615
cyclohexyl-[(2R)-2-(1-methylpyrazol-4-yl)azepan-1-yl]methanone
CID 92566960
1-tert-butyl-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-5-oxopyrrolidine-3-carboxamide
CID 70787550
2,2-dimethyl-1-[(2R)-2-(1-methylpyrazol-4-yl)azepan-1-yl]propan-1-one
CID 92551768
[2-(1-methylpyrazol-4-yl)piperidin-1-yl]-[5-(trifluoromethyl)-1H-pyrazol-3-yl]methanone
CID 146103274
1-[(2S)-2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propan-1-one
CID 92553788
(4S)-4-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidine-1-carbonyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 95346391
[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-pyrrolidin-3-ylmethanone
CID 119877995
[5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-[2-(1-methylpyrazol-4-yl)azepan-1-yl]methanone
CID 110223040
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-(1-methylpyrazol-4-yl)piperidine-1-carboxamide
CID 167943119

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrazol-4-yl)-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]piperidine-1-carboxamide?
The IUPAC name of 2-(1-methylpyrazol-4-yl)-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]piperidine-1-carboxamide (CID 167987280) is 2-(1-methylpyrazol-4-yl)-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]piperidine-1-carboxamide.
What is the SMILES notation for 2-(1-methylpyrazol-4-yl)-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]piperidine-1-carboxamide?
The canonical SMILES for 2-(1-methylpyrazol-4-yl)-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]piperidine-1-carboxamide is Cc1cc(C(F)(F)F)nn1CCNC(=O)N1CCCCC1c1cnn(C)c1.
What is the InChIKey of 2-(1-methylpyrazol-4-yl)-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]piperidine-1-carboxamide?
The InChIKey is CDGSWIPYDKDUEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F3N6O/c1-12-9-15(17(18,19)20)23-26(12)8-6-21-16(27)25-7-4-3-5-14(25)13-10-22-24(2)11-13/h9-11,14H,3-8H2,1-2H3,(H,21,27).
What are the key properties of 2-(1-methylpyrazol-4-yl)-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]piperidine-1-carboxamide?
2-(1-methylpyrazol-4-yl)-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]piperidine-1-carboxamide has a molecular weight of 384.41 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrazol-4-yl)-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]piperidine-1-carboxamide is sourced from PubChem (CID 167987280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).