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

C12H18F3N3 — CID 67184900

IUPAC4-[[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]methyl]cyclohexan-1-amine
SMILESCc1cc(C(F)(F)F)n(CC2CCC(N)CC2)n1
InChIInChI=1S/C12H18F3N3/c1-8-6-11(12(13,14)15)18(17-8)7-9-2-4-10(16)5-3-9/h6,9-10H,2-5,7,16H2,1H3
InChIKeyZFLXGWOQQMSSQC-UHFFFAOYSA-N
MW261.29 g/mol
LogP2.73
Rot. Bonds2

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

4-[[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]methyl]cyclohexan-1-amine (PubChem CID 67184900) has the molecular formula C12H18F3N3 and a molecular weight of 261.29 g/mol. Its IUPAC name is 4-[[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-[[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]methyl]cyclohexan-1-amine
PubChem CID67184900
Molecular FormulaC12H18F3N3
Molecular Weight261.29 g/mol
Exact Mass261.15
IUPAC Name4-[[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]methyl]cyclohexan-1-amine
SMILESCc1cc(C(F)(F)F)n(CC2CCC(N)CC2)n1
InChIInChI=1S/C12H18F3N3/c1-8-6-11(12(13,14)15)18(17-8)7-9-2-4-10(16)5-3-9/h6,9-10H,2-5,7,16H2,1H3
InChIKeyZFLXGWOQQMSSQC-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
1-(4,4-difluorocyclohexyl)-3-(2-methylpyrazol-3-yl)-N-propylpropan-1-amine
CID 103030547
1-(4,4-difluorocyclohexyl)-N-methyl-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103030649
N-methyl-3-(2-methylpyrazol-3-yl)-1-[2-(trifluoromethyl)cyclohexyl]propan-1-amine
CID 103030661
3-(2-Methylpyrazol-3-yl)-1-[4-(trifluoromethyl)cyclohexyl]propan-1-amine
CID 103030745
1-(4,4-difluorocyclohexyl)-N-ethyl-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103030749
3-(2-Methylpyrazol-3-yl)-1-[2-(trifluoromethyl)cyclohexyl]propan-1-amine
CID 103030763
3-(2-Methylpyrazol-3-yl)-1-[3-(trifluoromethyl)cyclohexyl]propan-1-amine
CID 103030834
3-(3,5-dimethyl-1H-pyrazol-1-yl)-N-(4-methylcyclohexyl)butanamide
CID 45106854

Frequently Asked Questions

What is the IUPAC name of 4-[[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]methyl]cyclohexan-1-amine?
The IUPAC name of 4-[[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]methyl]cyclohexan-1-amine (CID 67184900) is 4-[[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]methyl]cyclohexan-1-amine.
What is the SMILES notation for 4-[[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]methyl]cyclohexan-1-amine?
The canonical SMILES for 4-[[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]methyl]cyclohexan-1-amine is Cc1cc(C(F)(F)F)n(CC2CCC(N)CC2)n1.
What is the InChIKey of 4-[[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]methyl]cyclohexan-1-amine?
The InChIKey is ZFLXGWOQQMSSQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3/c1-8-6-11(12(13,14)15)18(17-8)7-9-2-4-10(16)5-3-9/h6,9-10H,2-5,7,16H2,1H3.
What are the key properties of 4-[[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]methyl]cyclohexan-1-amine?
4-[[3-methyl-5-(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-[[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]methyl]cyclohexan-1-amine is sourced from PubChem (CID 67184900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).