N-[(1-tert-butylpyrazol-4-yl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine

C15H24F3N3 — CID 43788076

IUPACN-[(1-tert-butylpyrazol-4-yl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine
SMILESCC(C)(C)n1cc(CNC2CCCCC2C(F)(F)F)cn1
InChIInChI=1S/C15H24F3N3/c1-14(2,3)21-10-11(9-20-21)8-19-13-7-5-4-6-12(13)15(16,17)18/h9-10,12-13,19H,4-8H2,1-3H3
InChIKeyPSVFJCSCQDHPIS-UHFFFAOYSA-N
MW303.37 g/mol
LogP3.85
Rot. Bonds3

About N-[(1-tert-butylpyrazol-4-yl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine

N-[(1-tert-butylpyrazol-4-yl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 43788076) has the molecular formula C15H24F3N3 and a molecular weight of 303.37 g/mol. Its IUPAC name is N-[(1-tert-butylpyrazol-4-yl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-[(1-tert-butylpyrazol-4-yl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine
PubChem CID43788076
Molecular FormulaC15H24F3N3
Molecular Weight303.37 g/mol
Exact Mass303.19
IUPAC NameN-[(1-tert-butylpyrazol-4-yl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine
SMILESCC(C)(C)n1cc(CNC2CCCCC2C(F)(F)F)cn1
InChIInChI=1S/C15H24F3N3/c1-14(2,3)21-10-11(9-20-21)8-19-13-7-5-4-6-12(13)15(16,17)18/h9-10,12-13,19H,4-8H2,1-3H3
InChIKeyPSVFJCSCQDHPIS-UHFFFAOYSA-N
XLogP3.85
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1-tert-butylpyrazol-4-yl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of N-[(1-tert-butylpyrazol-4-yl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine (CID 43788076) is N-[(1-tert-butylpyrazol-4-yl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for N-[(1-tert-butylpyrazol-4-yl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for N-[(1-tert-butylpyrazol-4-yl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine is CC(C)(C)n1cc(CNC2CCCCC2C(F)(F)F)cn1.
What is the InChIKey of N-[(1-tert-butylpyrazol-4-yl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is PSVFJCSCQDHPIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24F3N3/c1-14(2,3)21-10-11(9-20-21)8-19-13-7-5-4-6-12(13)15(16,17)18/h9-10,12-13,19H,4-8H2,1-3H3.
What are the key properties of N-[(1-tert-butylpyrazol-4-yl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine?
N-[(1-tert-butylpyrazol-4-yl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 303.37 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-tert-butylpyrazol-4-yl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 43788076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).