3-(1-methylpyrazol-4-yl)-1-[3-(trifluoromethyl)cyclohexyl]propan-1-amine

C14H22F3N3 — CID 103030057

IUPAC3-(1-methylpyrazol-4-yl)-1-[3-(trifluoromethyl)cyclohexyl]propan-1-amine
SMILESCn1cc(CCC(N)C2CCCC(C(F)(F)F)C2)cn1
InChIInChI=1S/C14H22F3N3/c1-20-9-10(8-19-20)5-6-13(18)11-3-2-4-12(7-11)14(15,16)17/h8-9,11-13H,2-7,18H2,1H3
InChIKeyONOVKMKEMSDLEP-UHFFFAOYSA-N
MW289.34 g/mol
LogP3.05
Rot. Bonds4

About 3-(1-methylpyrazol-4-yl)-1-[3-(trifluoromethyl)cyclohexyl]propan-1-amine

3-(1-methylpyrazol-4-yl)-1-[3-(trifluoromethyl)cyclohexyl]propan-1-amine (PubChem CID 103030057) has the molecular formula C14H22F3N3 and a molecular weight of 289.34 g/mol. Its IUPAC name is 3-(1-methylpyrazol-4-yl)-1-[3-(trifluoromethyl)cyclohexyl]propan-1-amine.

Molecular Properties

Compound Name3-(1-methylpyrazol-4-yl)-1-[3-(trifluoromethyl)cyclohexyl]propan-1-amine
PubChem CID103030057
Molecular FormulaC14H22F3N3
Molecular Weight289.34 g/mol
Exact Mass289.18
IUPAC Name3-(1-methylpyrazol-4-yl)-1-[3-(trifluoromethyl)cyclohexyl]propan-1-amine
SMILESCn1cc(CCC(N)C2CCCC(C(F)(F)F)C2)cn1
InChIInChI=1S/C14H22F3N3/c1-20-9-10(8-19-20)5-6-13(18)11-3-2-4-12(7-11)14(15,16)17/h8-9,11-13H,2-7,18H2,1H3
InChIKeyONOVKMKEMSDLEP-UHFFFAOYSA-N
XLogP3.05
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-3-(1-methylpyrazol-4-yl)-1-[3-(trifluoromethyl)cyclohexyl]propan-1-amine
CID 103029967
2-(1-methylpyrazol-4-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanol
CID 105082718
3-(2-methylpyrazol-3-yl)-1-[3-(trifluoromethyl)cyclohexyl]propan-1-amine
CID 103030834
1-(3-bicyclo[3.1.0]hexanyl)-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103029830
N-methyl-3-(1-methylpyrazol-4-yl)-1-[4-(trifluoromethyl)cyclohexyl]propan-1-amine
CID 103030167
1-(2-bicyclo[2.2.1]heptanyl)-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103012100
[1-cycloheptyl-3-(1-methylpyrazol-4-yl)propyl]hydrazine
CID 103025788
2-(1-methylpyrazol-4-yl)-1-[2-(trifluoromethyl)cyclohexyl]ethanamine
CID 105114039
N-methyl-1-(3-methylcyclohexyl)-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103009708
1-(1,4-dimethyl-1,4-diazepan-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103011964
4-(3-bromo-3-cyclopropylpropyl)-1-methylpyrazole
CID 63358314
2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanamine
CID 105161017

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpyrazol-4-yl)-1-[3-(trifluoromethyl)cyclohexyl]propan-1-amine?
The IUPAC name of 3-(1-methylpyrazol-4-yl)-1-[3-(trifluoromethyl)cyclohexyl]propan-1-amine (CID 103030057) is 3-(1-methylpyrazol-4-yl)-1-[3-(trifluoromethyl)cyclohexyl]propan-1-amine.
What is the SMILES notation for 3-(1-methylpyrazol-4-yl)-1-[3-(trifluoromethyl)cyclohexyl]propan-1-amine?
The canonical SMILES for 3-(1-methylpyrazol-4-yl)-1-[3-(trifluoromethyl)cyclohexyl]propan-1-amine is Cn1cc(CCC(N)C2CCCC(C(F)(F)F)C2)cn1.
What is the InChIKey of 3-(1-methylpyrazol-4-yl)-1-[3-(trifluoromethyl)cyclohexyl]propan-1-amine?
The InChIKey is ONOVKMKEMSDLEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F3N3/c1-20-9-10(8-19-20)5-6-13(18)11-3-2-4-12(7-11)14(15,16)17/h8-9,11-13H,2-7,18H2,1H3.
What are the key properties of 3-(1-methylpyrazol-4-yl)-1-[3-(trifluoromethyl)cyclohexyl]propan-1-amine?
3-(1-methylpyrazol-4-yl)-1-[3-(trifluoromethyl)cyclohexyl]propan-1-amine has a molecular weight of 289.34 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpyrazol-4-yl)-1-[3-(trifluoromethyl)cyclohexyl]propan-1-amine is sourced from PubChem (CID 103030057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).