4-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]cyclohexan-1-amine

C12H18F3N3 — CID 67184300

IUPAC4-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]cyclohexan-1-amine
SMILESCc1cc(C(F)(F)F)nn1CC1CCC(N)CC1
InChIInChI=1S/C12H18F3N3/c1-8-6-11(12(13,14)15)17-18(8)7-9-2-4-10(16)5-3-9/h6,9-10H,2-5,7,16H2,1H3
InChIKeyVADXJBRQNLYNHY-UHFFFAOYSA-N
MW261.29 g/mol
LogP2.73
Rot. Bonds2

About 4-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]cyclohexan-1-amine

4-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]cyclohexan-1-amine (PubChem CID 67184300) has the molecular formula C12H18F3N3 and a molecular weight of 261.29 g/mol. Its IUPAC name is 4-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]cyclohexan-1-amine
PubChem CID67184300
Molecular FormulaC12H18F3N3
Molecular Weight261.29 g/mol
Exact Mass261.15
IUPAC Name4-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]cyclohexan-1-amine
SMILESCc1cc(C(F)(F)F)nn1CC1CCC(N)CC1
InChIInChI=1S/C12H18F3N3/c1-8-6-11(12(13,14)15)17-18(8)7-9-2-4-10(16)5-3-9/h6,9-10H,2-5,7,16H2,1H3
InChIKeyVADXJBRQNLYNHY-UHFFFAOYSA-N
XLogP2.73
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]ethan-1-amine
CID 16640649
4-(3,5-dimethyl-1H-pyrazol-1-yl)piperidine
CID 23014320
{2-[5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-1-methylethyl}amine
CID 19620826
3-(5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)propan-1-amine
CID 7018524
3-(3,5-dimethyl-1H-pyrazol-1-yl)-N-(4-methylcyclohexyl)butanamide
CID 45106854
4-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]piperidine dihydrochloride
CID 54592750
4-(2-ethyl-5-methyl-2H-pyrazol-3-yl)-piperidine
CID 11708208
3-(3,5-dimethyl-1H-pyrazol-1-yl)-2-methylpropan-1-amine
CID 19616567
4-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]piperidine
CID 52191583
4-ethyl-N-[(1R)-2,2,2-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]cyclohexan-1-amine
CID 97341670
1-[(2R)-3-(dimethylsulfamoylamino)-2-methylpropyl]-3-methyl-5-(trifluoromethyl)pyrazole
CID 164637095
1-cyclohexyl-3-{2-methyl-3-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propyl}urea
CID 17026395

Frequently Asked Questions

What is the IUPAC name of 4-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]cyclohexan-1-amine?
The IUPAC name of 4-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]cyclohexan-1-amine (CID 67184300) is 4-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]cyclohexan-1-amine.
What is the SMILES notation for 4-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]cyclohexan-1-amine?
The canonical SMILES for 4-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]cyclohexan-1-amine is Cc1cc(C(F)(F)F)nn1CC1CCC(N)CC1.
What is the InChIKey of 4-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]cyclohexan-1-amine?
The InChIKey is VADXJBRQNLYNHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3/c1-8-6-11(12(13,14)15)17-18(8)7-9-2-4-10(16)5-3-9/h6,9-10H,2-5,7,16H2,1H3.
What are the key properties of 4-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]cyclohexan-1-amine?
4-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]cyclohexan-1-amine has a molecular weight of 261.29 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]cyclohexan-1-amine is sourced from PubChem (CID 67184300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).