1-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide

C17H21F3N6O — CID 133331636

IUPAC1-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
SMILESCc1cc(C)n(-c2cncc(N3CCCC(C(=O)NCC(F)(F)F)C3)n2)n1
InChIInChI=1S/C17H21F3N6O/c1-11-6-12(2)26(24-11)15-8-21-7-14(23-15)25-5-3-4-13(9-25)16(27)22-10-17(18,19)20/h6-8,13H,3-5,9-10H2,1-2H3,(H,22,27)
InChIKeyXAIVMTDJCIZXBN-UHFFFAOYSA-N
MW382.39 g/mol
LogP2.17
Rot. Bonds4

About 1-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide

1-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (PubChem CID 133331636) has the molecular formula C17H21F3N6O and a molecular weight of 382.39 g/mol. Its IUPAC name is 1-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
PubChem CID133331636
Molecular FormulaC17H21F3N6O
Molecular Weight382.39 g/mol
Exact Mass382.17
IUPAC Name1-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
SMILESCc1cc(C)n(-c2cncc(N3CCCC(C(=O)NCC(F)(F)F)C3)n2)n1
InChIInChI=1S/C17H21F3N6O/c1-11-6-12(2)26(24-11)15-8-21-7-14(23-15)25-5-3-4-13(9-25)16(27)22-10-17(18,19)20/h6-8,13H,3-5,9-10H2,1-2H3,(H,22,27)
InChIKeyXAIVMTDJCIZXBN-UHFFFAOYSA-N
XLogP2.17
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.39
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-1-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]piperidine-3-carboxamide
CID 95768737
[1-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]piperidin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 133283095
1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-(2-phenylethyl)piperidine-3-carboxamide
CID 90514623
1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-[[2-(trifluoromethoxy)phenyl]methyl]piperidine-3-carboxamide
CID 90514702
1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-[(4-iodophenyl)methyl]piperidine-3-carboxamide
CID 90514647
(3S)-1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-N-[(2-fluorophenyl)methyl]piperidine-3-carboxamide
CID 95367750
(3R)-1-[5-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]-N-methylpiperidine-3-carboxamide
CID 95785321
N-cycloheptyl-1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperidine-3-carboxamide
CID 90520777
N,N-dimethyl-6-[3-(2,2,2-trifluoroethylcarbamoyl)piperidin-1-yl]pyridine-3-carboxamide
CID 133331661
2-(3,5-dimethylpyrazol-1-yl)-6-(3-pyrazol-1-ylpiperidin-1-yl)pyrazine
CID 133275726
2-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]piperazin-1-yl]-N-ethylacetamide
CID 133273980
2-(3,5-dimethylpyrazol-1-yl)-6-(4-methylpiperidin-1-yl)pyrazine
CID 133273860

Frequently Asked Questions

What is the IUPAC name of 1-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The IUPAC name of 1-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (CID 133331636) is 1-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The canonical SMILES for 1-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is Cc1cc(C)n(-c2cncc(N3CCCC(C(=O)NCC(F)(F)F)C3)n2)n1.
What is the InChIKey of 1-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The InChIKey is XAIVMTDJCIZXBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F3N6O/c1-11-6-12(2)26(24-11)15-8-21-7-14(23-15)25-5-3-4-13(9-25)16(27)22-10-17(18,19)20/h6-8,13H,3-5,9-10H2,1-2H3,(H,22,27).
What are the key properties of 1-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
1-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide has a molecular weight of 382.39 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is sourced from PubChem (CID 133331636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).