4-[1-(trifluoromethyl)pyrazol-4-yl]cyclohexan-1-amine

C10H14F3N3 — CID 146389778

IUPAC4-[1-(trifluoromethyl)pyrazol-4-yl]cyclohexan-1-amine
SMILESNC1CCC(c2cnn(C(F)(F)F)c2)CC1
InChIInChI=1S/C10H14F3N3/c11-10(12,13)16-6-8(5-15-16)7-1-3-9(14)4-2-7/h5-7,9H,1-4,14H2
InChIKeyVQOLIQWWGQFZGD-UHFFFAOYSA-N
MW233.24 g/mol
LogP2.34
Rot. Bonds1

About 4-[1-(trifluoromethyl)pyrazol-4-yl]cyclohexan-1-amine

4-[1-(trifluoromethyl)pyrazol-4-yl]cyclohexan-1-amine (PubChem CID 146389778) has the molecular formula C10H14F3N3 and a molecular weight of 233.24 g/mol. Its IUPAC name is 4-[1-(trifluoromethyl)pyrazol-4-yl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-[1-(trifluoromethyl)pyrazol-4-yl]cyclohexan-1-amine
PubChem CID146389778
Molecular FormulaC10H14F3N3
Molecular Weight233.24 g/mol
Exact Mass233.11
IUPAC Name4-[1-(trifluoromethyl)pyrazol-4-yl]cyclohexan-1-amine
SMILESNC1CCC(c2cnn(C(F)(F)F)c2)CC1
InChIInChI=1S/C10H14F3N3/c11-10(12,13)16-6-8(5-15-16)7-1-3-9(14)4-2-7/h5-7,9H,1-4,14H2
InChIKeyVQOLIQWWGQFZGD-UHFFFAOYSA-N
XLogP2.34
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.24
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-methyl-1H-pyrazol-4-yl)piperidine
CID 63085164
2-methyl-1-(1-methyl-1H-pyrazol-4-yl)propan-1-amine
CID 43124222
cyclobutyl(1-methyl-1H-pyrazol-4-yl)methanamine
CID 43124235
4-(1-methyl-1H-pyrazol-4-yl)butan-2-amine
CID 62127805
3-cyclopropyl-N-[2,2,2-trifluoro-1-(1-methylpyrazol-4-yl)ethyl]cyclohexan-1-amine
CID 121570471
4-[3,3-Difluoro-3-(1-methylpyrazol-4-yl)propyl]piperidine
CID 18187752
[3-(trifluoromethyl)-1-[4-(trifluoromethyl)cyclohexyl]-1H-pyrazol-4-yl]methanamine
CID 122456123
1-(2,2-Difluoroethyl)-4-octan-2-ylpyrazole
CID 126500106
4-(4,4-Difluoro-5-methylhex-5-enyl)-1-methylpyrazole
CID 134556292
1-(Difluoromethyl)-4-(5-methylundecan-5-yl)pyrazole
CID 139543516
1-(Difluoromethyl)-4-(5-methylnonan-5-yl)pyrazole
CID 139570967
(2S,4R)-2-(1-methylpyrazol-4-yl)-1-propan-2-yl-4-(trifluoromethyl)piperidine
CID 140925151

Frequently Asked Questions

What is the IUPAC name of 4-[1-(trifluoromethyl)pyrazol-4-yl]cyclohexan-1-amine?
The IUPAC name of 4-[1-(trifluoromethyl)pyrazol-4-yl]cyclohexan-1-amine (CID 146389778) is 4-[1-(trifluoromethyl)pyrazol-4-yl]cyclohexan-1-amine.
What is the SMILES notation for 4-[1-(trifluoromethyl)pyrazol-4-yl]cyclohexan-1-amine?
The canonical SMILES for 4-[1-(trifluoromethyl)pyrazol-4-yl]cyclohexan-1-amine is NC1CCC(c2cnn(C(F)(F)F)c2)CC1.
What is the InChIKey of 4-[1-(trifluoromethyl)pyrazol-4-yl]cyclohexan-1-amine?
The InChIKey is VQOLIQWWGQFZGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3/c11-10(12,13)16-6-8(5-15-16)7-1-3-9(14)4-2-7/h5-7,9H,1-4,14H2.
What are the key properties of 4-[1-(trifluoromethyl)pyrazol-4-yl]cyclohexan-1-amine?
4-[1-(trifluoromethyl)pyrazol-4-yl]cyclohexan-1-amine has a molecular weight of 233.24 g/mol, XLogP of 2.34, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(trifluoromethyl)pyrazol-4-yl]cyclohexan-1-amine is sourced from PubChem (CID 146389778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).