N-ethyl-4-propan-2-yl-2-[3-(trifluoromethyl)pyrazol-1-yl]cyclohexan-1-amine

C15H24F3N3 — CID 62704456

IUPACN-ethyl-4-propan-2-yl-2-[3-(trifluoromethyl)pyrazol-1-yl]cyclohexan-1-amine
SMILESCCNC1CCC(C(C)C)CC1n1ccc(C(F)(F)F)n1
InChIInChI=1S/C15H24F3N3/c1-4-19-12-6-5-11(10(2)3)9-13(12)21-8-7-14(20-21)15(16,17)18/h7-8,10-13,19H,4-6,9H2,1-3H3
InChIKeyFXOFUILXVNGJMC-UHFFFAOYSA-N
MW303.37 g/mol
LogP3.88
Rot. Bonds4

About N-ethyl-4-propan-2-yl-2-[3-(trifluoromethyl)pyrazol-1-yl]cyclohexan-1-amine

N-ethyl-4-propan-2-yl-2-[3-(trifluoromethyl)pyrazol-1-yl]cyclohexan-1-amine (PubChem CID 62704456) has the molecular formula C15H24F3N3 and a molecular weight of 303.37 g/mol. Its IUPAC name is N-ethyl-4-propan-2-yl-2-[3-(trifluoromethyl)pyrazol-1-yl]cyclohexan-1-amine.

Molecular Properties

Compound NameN-ethyl-4-propan-2-yl-2-[3-(trifluoromethyl)pyrazol-1-yl]cyclohexan-1-amine
PubChem CID62704456
Molecular FormulaC15H24F3N3
Molecular Weight303.37 g/mol
Exact Mass303.19
IUPAC NameN-ethyl-4-propan-2-yl-2-[3-(trifluoromethyl)pyrazol-1-yl]cyclohexan-1-amine
SMILESCCNC1CCC(C(C)C)CC1n1ccc(C(F)(F)F)n1
InChIInChI=1S/C15H24F3N3/c1-4-19-12-6-5-11(10(2)3)9-13(12)21-8-7-14(20-21)15(16,17)18/h7-8,10-13,19H,4-6,9H2,1-3H3
InChIKeyFXOFUILXVNGJMC-UHFFFAOYSA-N
XLogP3.88
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,5-dimethylpyrazol-1-yl)-N-ethyl-4-propan-2-ylcyclohexan-1-amine
CID 62707865
N-ethyl-2-(2-ethyl-5-methylpyrrolidin-1-yl)-4-propan-2-ylcyclohexan-1-amine
CID 83227358
1-(ethylamino)-3-[3-(trifluoromethyl)pyrazol-1-yl]cyclopentane-1-carbonitrile
CID 79638333
2-(benzenesulfonyl)-N-ethyl-4-propan-2-ylcyclohexan-1-amine
CID 62916348
1-cyclopropyl-N-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanamine
CID 63912882
2-(2,3-difluorophenoxy)-N-ethyl-4-propan-2-ylcyclohexan-1-amine
CID 63500205
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-ethyl-4-propan-2-ylcyclohexan-1-amine
CID 64632318
N-ethyl-4-propan-2-yl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine
CID 116616694
2-(3,5-dimethyl-1,2,4-triazol-1-yl)-4-propan-2-yl-N-propylcyclohexan-1-amine
CID 62703896
N-ethyl-2-methylsulfanyl-4-propan-2-ylcyclohexan-1-amine
CID 64627479
2-(2-ethylimidazol-1-yl)-N-methyl-4-propan-2-ylcyclohexan-1-amine
CID 62703898
N-[2-[(3R)-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethyl]propan-2-amine
CID 99838934

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-propan-2-yl-2-[3-(trifluoromethyl)pyrazol-1-yl]cyclohexan-1-amine?
The IUPAC name of N-ethyl-4-propan-2-yl-2-[3-(trifluoromethyl)pyrazol-1-yl]cyclohexan-1-amine (CID 62704456) is N-ethyl-4-propan-2-yl-2-[3-(trifluoromethyl)pyrazol-1-yl]cyclohexan-1-amine.
What is the SMILES notation for N-ethyl-4-propan-2-yl-2-[3-(trifluoromethyl)pyrazol-1-yl]cyclohexan-1-amine?
The canonical SMILES for N-ethyl-4-propan-2-yl-2-[3-(trifluoromethyl)pyrazol-1-yl]cyclohexan-1-amine is CCNC1CCC(C(C)C)CC1n1ccc(C(F)(F)F)n1.
What is the InChIKey of N-ethyl-4-propan-2-yl-2-[3-(trifluoromethyl)pyrazol-1-yl]cyclohexan-1-amine?
The InChIKey is FXOFUILXVNGJMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24F3N3/c1-4-19-12-6-5-11(10(2)3)9-13(12)21-8-7-14(20-21)15(16,17)18/h7-8,10-13,19H,4-6,9H2,1-3H3.
What are the key properties of N-ethyl-4-propan-2-yl-2-[3-(trifluoromethyl)pyrazol-1-yl]cyclohexan-1-amine?
N-ethyl-4-propan-2-yl-2-[3-(trifluoromethyl)pyrazol-1-yl]cyclohexan-1-amine has a molecular weight of 303.37 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-propan-2-yl-2-[3-(trifluoromethyl)pyrazol-1-yl]cyclohexan-1-amine is sourced from PubChem (CID 62704456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).