3-(trifluoromethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclohexan-1-amine

C14H22F3N3 — CID 43434415

IUPAC3-(trifluoromethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclohexan-1-amine
SMILESCc1nn(C)c(C)c1CNC1CCCC(C(F)(F)F)C1
InChIInChI=1S/C14H22F3N3/c1-9-13(10(2)20(3)19-9)8-18-12-6-4-5-11(7-12)14(15,16)17/h11-12,18H,4-8H2,1-3H3
InChIKeyZSECNMBCGSHNHK-UHFFFAOYSA-N
MW289.34 g/mol
LogP3.25
Rot. Bonds3

About 3-(trifluoromethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclohexan-1-amine

3-(trifluoromethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclohexan-1-amine (PubChem CID 43434415) has the molecular formula C14H22F3N3 and a molecular weight of 289.34 g/mol. Its IUPAC name is 3-(trifluoromethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name3-(trifluoromethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclohexan-1-amine
PubChem CID43434415
Molecular FormulaC14H22F3N3
Molecular Weight289.34 g/mol
Exact Mass289.18
IUPAC Name3-(trifluoromethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclohexan-1-amine
SMILESCc1nn(C)c(C)c1CNC1CCCC(C(F)(F)F)C1
InChIInChI=1S/C14H22F3N3/c1-9-13(10(2)20(3)19-9)8-18-12-6-4-5-11(7-12)14(15,16)17/h11-12,18H,4-8H2,1-3H3
InChIKeyZSECNMBCGSHNHK-UHFFFAOYSA-N
XLogP3.25
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclohexan-1-amine?
The IUPAC name of 3-(trifluoromethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclohexan-1-amine (CID 43434415) is 3-(trifluoromethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 3-(trifluoromethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclohexan-1-amine?
The canonical SMILES for 3-(trifluoromethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclohexan-1-amine is Cc1nn(C)c(C)c1CNC1CCCC(C(F)(F)F)C1.
What is the InChIKey of 3-(trifluoromethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclohexan-1-amine?
The InChIKey is ZSECNMBCGSHNHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F3N3/c1-9-13(10(2)20(3)19-9)8-18-12-6-4-5-11(7-12)14(15,16)17/h11-12,18H,4-8H2,1-3H3.
What are the key properties of 3-(trifluoromethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclohexan-1-amine?
3-(trifluoromethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclohexan-1-amine has a molecular weight of 289.34 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 43434415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).