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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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).