6-(3,5-dimethylpyrazol-1-yl)-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazin-2-amine

C16H21F3N6 — CID 133284396

IUPAC6-(3,5-dimethylpyrazol-1-yl)-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazin-2-amine
SMILESCc1cc(C)n(-c2cncc(NC3CCN(CC(F)(F)F)CC3)n2)n1
InChIInChI=1S/C16H21F3N6/c1-11-7-12(2)25(23-11)15-9-20-8-14(22-15)21-13-3-5-24(6-4-13)10-16(17,18)19/h7-9,13H,3-6,10H2,1-2H3,(H,21,22)
InChIKeyBRWVUWKTCNQTSL-UHFFFAOYSA-N
MW354.38 g/mol
LogP2.72
Rot. Bonds4

About 6-(3,5-dimethylpyrazol-1-yl)-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazin-2-amine

6-(3,5-dimethylpyrazol-1-yl)-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazin-2-amine (PubChem CID 133284396) has the molecular formula C16H21F3N6 and a molecular weight of 354.38 g/mol. Its IUPAC name is 6-(3,5-dimethylpyrazol-1-yl)-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazin-2-amine.

Molecular Properties

Compound Name6-(3,5-dimethylpyrazol-1-yl)-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazin-2-amine
PubChem CID133284396
Molecular FormulaC16H21F3N6
Molecular Weight354.38 g/mol
Exact Mass354.18
IUPAC Name6-(3,5-dimethylpyrazol-1-yl)-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazin-2-amine
SMILESCc1cc(C)n(-c2cncc(NC3CCN(CC(F)(F)F)CC3)n2)n1
InChIInChI=1S/C16H21F3N6/c1-11-7-12(2)25(23-11)15-9-20-8-14(22-15)21-13-3-5-24(6-4-13)10-16(17,18)19/h7-9,13H,3-6,10H2,1-2H3,(H,21,22)
InChIKeyBRWVUWKTCNQTSL-UHFFFAOYSA-N
XLogP2.72
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.38
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-(3,5-dimethylpyrazol-1-yl)-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazin-2-amine with MolForge

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Related Compounds

N-[1-(2,2-difluoroethyl)piperidin-4-yl]-6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-amine
CID 56823393
N-cyclooctyl-6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-amine
CID 71885724
methyl 4-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]piperidine-1-carboxylate
CID 133284189
1-[4-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]piperidin-1-yl]-3-methylbutan-1-one
CID 133305589
6-(3,5-dimethylpyrazol-1-yl)-N-(2-methylcyclohexyl)pyrazin-2-amine
CID 133273883
N-(2-cyclopentyloxycyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-amine
CID 71907167
(2S)-2-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]propan-1-ol
CID 133428096
6-(3,5-dimethylpyrazol-1-yl)-N-[2-(4-methylpiperazin-1-yl)propyl]pyrazin-2-amine
CID 56788053
6-(3,5-dimethylpyrazol-1-yl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]pyrazin-2-amine
CID 133284621
6-(3,5-dimethylpyrazol-1-yl)-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]pyrazin-2-amine
CID 133446469
2-(3,5-dimethylpyrazol-1-yl)-6-(4-methylpiperidin-1-yl)pyrazine
CID 133273860
N-methyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazin-2-amine
CID 80823874

Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethylpyrazol-1-yl)-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazin-2-amine?
The IUPAC name of 6-(3,5-dimethylpyrazol-1-yl)-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazin-2-amine (CID 133284396) is 6-(3,5-dimethylpyrazol-1-yl)-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazin-2-amine.
What is the SMILES notation for 6-(3,5-dimethylpyrazol-1-yl)-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazin-2-amine?
The canonical SMILES for 6-(3,5-dimethylpyrazol-1-yl)-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazin-2-amine is Cc1cc(C)n(-c2cncc(NC3CCN(CC(F)(F)F)CC3)n2)n1.
What is the InChIKey of 6-(3,5-dimethylpyrazol-1-yl)-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazin-2-amine?
The InChIKey is BRWVUWKTCNQTSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N6/c1-11-7-12(2)25(23-11)15-9-20-8-14(22-15)21-13-3-5-24(6-4-13)10-16(17,18)19/h7-9,13H,3-6,10H2,1-2H3,(H,21,22).
What are the key properties of 6-(3,5-dimethylpyrazol-1-yl)-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazin-2-amine?
6-(3,5-dimethylpyrazol-1-yl)-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazin-2-amine has a molecular weight of 354.38 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethylpyrazol-1-yl)-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazin-2-amine is sourced from PubChem (CID 133284396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).