N-(1-pyrazol-1-ylpropan-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine

C13H20F3N3 — CID 64754666

IUPACN-(1-pyrazol-1-ylpropan-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine
SMILESCC(Cn1cccn1)NC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C13H20F3N3/c1-10(9-19-8-2-7-17-19)18-12-5-3-11(4-6-12)13(14,15)16/h2,7-8,10-12,18H,3-6,9H2,1H3
InChIKeyGARFACBQHYQYFI-UHFFFAOYSA-N
MW275.32 g/mol
LogP2.98
Rot. Bonds4

About N-(1-pyrazol-1-ylpropan-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine

N-(1-pyrazol-1-ylpropan-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 64754666) has the molecular formula C13H20F3N3 and a molecular weight of 275.32 g/mol. Its IUPAC name is N-(1-pyrazol-1-ylpropan-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-(1-pyrazol-1-ylpropan-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine
PubChem CID64754666
Molecular FormulaC13H20F3N3
Molecular Weight275.32 g/mol
Exact Mass275.16
IUPAC NameN-(1-pyrazol-1-ylpropan-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine
SMILESCC(Cn1cccn1)NC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C13H20F3N3/c1-10(9-19-8-2-7-17-19)18-12-5-3-11(4-6-12)13(14,15)16/h2,7-8,10-12,18H,3-6,9H2,1H3
InChIKeyGARFACBQHYQYFI-UHFFFAOYSA-N
XLogP2.98
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.32
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-pyrazol-1-ylpropan-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of N-(1-pyrazol-1-ylpropan-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine (CID 64754666) is N-(1-pyrazol-1-ylpropan-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for N-(1-pyrazol-1-ylpropan-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for N-(1-pyrazol-1-ylpropan-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine is CC(Cn1cccn1)NC1CCC(C(F)(F)F)CC1.
What is the InChIKey of N-(1-pyrazol-1-ylpropan-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is GARFACBQHYQYFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3N3/c1-10(9-19-8-2-7-17-19)18-12-5-3-11(4-6-12)13(14,15)16/h2,7-8,10-12,18H,3-6,9H2,1H3.
What are the key properties of N-(1-pyrazol-1-ylpropan-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine?
N-(1-pyrazol-1-ylpropan-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 275.32 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-pyrazol-1-ylpropan-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 64754666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).