1-ethyl-3-methyl-5-[3-(trifluoromethyl)piperidin-1-yl]pyrazol-4-amine

C12H19F3N4 — CID 66012483

IUPAC1-ethyl-3-methyl-5-[3-(trifluoromethyl)piperidin-1-yl]pyrazol-4-amine
SMILESCCn1nc(C)c(N)c1N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C12H19F3N4/c1-3-19-11(10(16)8(2)17-19)18-6-4-5-9(7-18)12(13,14)15/h9H,3-7,16H2,1-2H3
InChIKeyGMYNRVYVZMQBQV-UHFFFAOYSA-N
MW276.31 g/mol
LogP2.57
Rot. Bonds2

About 1-ethyl-3-methyl-5-[3-(trifluoromethyl)piperidin-1-yl]pyrazol-4-amine

1-ethyl-3-methyl-5-[3-(trifluoromethyl)piperidin-1-yl]pyrazol-4-amine (PubChem CID 66012483) has the molecular formula C12H19F3N4 and a molecular weight of 276.31 g/mol. Its IUPAC name is 1-ethyl-3-methyl-5-[3-(trifluoromethyl)piperidin-1-yl]pyrazol-4-amine.

Molecular Properties

Compound Name1-ethyl-3-methyl-5-[3-(trifluoromethyl)piperidin-1-yl]pyrazol-4-amine
PubChem CID66012483
Molecular FormulaC12H19F3N4
Molecular Weight276.31 g/mol
Exact Mass276.16
IUPAC Name1-ethyl-3-methyl-5-[3-(trifluoromethyl)piperidin-1-yl]pyrazol-4-amine
SMILESCCn1nc(C)c(N)c1N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C12H19F3N4/c1-3-19-11(10(16)8(2)17-19)18-6-4-5-9(7-18)12(13,14)15/h9H,3-7,16H2,1-2H3
InChIKeyGMYNRVYVZMQBQV-UHFFFAOYSA-N
XLogP2.57
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-Methyl-5-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)pyrazol-4-amine
CID 71176960
1,3-dimethyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine
CID 43554056
1-(1,3-Dimethyl-4-nitropyrazol-5-yl)-3-(trifluoromethyl)piperidine
CID 47213595
1,3-dimethyl-4-(methylaminomethyl)-N-propyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine
CID 55008674
1,3-dimethyl-4-(methylaminomethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine
CID 55008876
4-(aminomethyl)-1,3-dimethyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine
CID 55008928
N-ethyl-1,3-dimethyl-4-(methylaminomethyl)-N-(2,2,2-trifluoroethyl)pyrazol-5-amine
CID 55009217
N-ethyl-4-(ethylaminomethyl)-1,3-dimethyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine
CID 55009264
1,3-dimethyl-5-N-propyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine
CID 55011252
5-N-cyclopropyl-1,3-dimethyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine
CID 55011492
1,3-dimethyl-5-N-propan-2-yl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine
CID 55011693
4-(aminomethyl)-N,1,3-trimethyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine
CID 60890450

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methyl-5-[3-(trifluoromethyl)piperidin-1-yl]pyrazol-4-amine?
The IUPAC name of 1-ethyl-3-methyl-5-[3-(trifluoromethyl)piperidin-1-yl]pyrazol-4-amine (CID 66012483) is 1-ethyl-3-methyl-5-[3-(trifluoromethyl)piperidin-1-yl]pyrazol-4-amine.
What is the SMILES notation for 1-ethyl-3-methyl-5-[3-(trifluoromethyl)piperidin-1-yl]pyrazol-4-amine?
The canonical SMILES for 1-ethyl-3-methyl-5-[3-(trifluoromethyl)piperidin-1-yl]pyrazol-4-amine is CCn1nc(C)c(N)c1N1CCCC(C(F)(F)F)C1.
What is the InChIKey of 1-ethyl-3-methyl-5-[3-(trifluoromethyl)piperidin-1-yl]pyrazol-4-amine?
The InChIKey is GMYNRVYVZMQBQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N4/c1-3-19-11(10(16)8(2)17-19)18-6-4-5-9(7-18)12(13,14)15/h9H,3-7,16H2,1-2H3.
What are the key properties of 1-ethyl-3-methyl-5-[3-(trifluoromethyl)piperidin-1-yl]pyrazol-4-amine?
1-ethyl-3-methyl-5-[3-(trifluoromethyl)piperidin-1-yl]pyrazol-4-amine has a molecular weight of 276.31 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methyl-5-[3-(trifluoromethyl)piperidin-1-yl]pyrazol-4-amine is sourced from PubChem (CID 66012483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).