3-(2-methylpyrazol-3-yl)-1-[3-(trifluoromethyl)cyclohexyl]propan-1-amine

C14H22F3N3 — CID 103030834

IUPAC3-(2-methylpyrazol-3-yl)-1-[3-(trifluoromethyl)cyclohexyl]propan-1-amine
SMILESCn1nccc1CCC(N)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C14H22F3N3/c1-20-12(7-8-19-20)5-6-13(18)10-3-2-4-11(9-10)14(15,16)17/h7-8,10-11,13H,2-6,9,18H2,1H3
InChIKeyZMEPRZCSFMCLAR-UHFFFAOYSA-N
MW289.34 g/mol
LogP3.05
Rot. Bonds4

About 3-(2-methylpyrazol-3-yl)-1-[3-(trifluoromethyl)cyclohexyl]propan-1-amine

3-(2-methylpyrazol-3-yl)-1-[3-(trifluoromethyl)cyclohexyl]propan-1-amine (PubChem CID 103030834) has the molecular formula C14H22F3N3 and a molecular weight of 289.34 g/mol. Its IUPAC name is 3-(2-methylpyrazol-3-yl)-1-[3-(trifluoromethyl)cyclohexyl]propan-1-amine.

Molecular Properties

Compound Name3-(2-methylpyrazol-3-yl)-1-[3-(trifluoromethyl)cyclohexyl]propan-1-amine
PubChem CID103030834
Molecular FormulaC14H22F3N3
Molecular Weight289.34 g/mol
Exact Mass289.18
IUPAC Name3-(2-methylpyrazol-3-yl)-1-[3-(trifluoromethyl)cyclohexyl]propan-1-amine
SMILESCn1nccc1CCC(N)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C14H22F3N3/c1-20-12(7-8-19-20)5-6-13(18)10-3-2-4-11(9-10)14(15,16)17/h7-8,10-11,13H,2-6,9,18H2,1H3
InChIKeyZMEPRZCSFMCLAR-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

3-(1-methylpyrazol-4-yl)-1-[3-(trifluoromethyl)cyclohexyl]propan-1-amine
CID 103030057
1-(4-butylcyclohexyl)-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103030638
1-cyclooctyl-3-(2-methylpyrazol-3-yl)propan-1-ol
CID 103008398
[3-(2-methylpyrazol-3-yl)-1-[2-(trifluoromethyl)cyclohexyl]propyl]hydrazine
CID 103026021
1-cyclobutyl-N-ethyl-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103010387
2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanamine
CID 105161017
[(2-propylpyrazol-3-yl)-[3-(trifluoromethyl)cyclohexyl]methyl]hydrazine
CID 105307031
[(2-ethylpyrazol-3-yl)-[3-(trifluoromethyl)cyclohexyl]methyl]hydrazine
CID 105307255
2-(2-methyl-1,3-thiazol-4-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanamine
CID 105159105
N-[(2-ethylpyrazol-3-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 115761677
(2R)-1,1,1-trifluoro-4-(2-methylpyrazol-3-yl)butan-2-ol
CID 103008517
4-ethyl-4-N,4-N-dimethyl-1-(2-methylpyrazol-3-yl)hexane-3,4-diamine
CID 103011097

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpyrazol-3-yl)-1-[3-(trifluoromethyl)cyclohexyl]propan-1-amine?
The IUPAC name of 3-(2-methylpyrazol-3-yl)-1-[3-(trifluoromethyl)cyclohexyl]propan-1-amine (CID 103030834) is 3-(2-methylpyrazol-3-yl)-1-[3-(trifluoromethyl)cyclohexyl]propan-1-amine.
What is the SMILES notation for 3-(2-methylpyrazol-3-yl)-1-[3-(trifluoromethyl)cyclohexyl]propan-1-amine?
The canonical SMILES for 3-(2-methylpyrazol-3-yl)-1-[3-(trifluoromethyl)cyclohexyl]propan-1-amine is Cn1nccc1CCC(N)C1CCCC(C(F)(F)F)C1.
What is the InChIKey of 3-(2-methylpyrazol-3-yl)-1-[3-(trifluoromethyl)cyclohexyl]propan-1-amine?
The InChIKey is ZMEPRZCSFMCLAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F3N3/c1-20-12(7-8-19-20)5-6-13(18)10-3-2-4-11(9-10)14(15,16)17/h7-8,10-11,13H,2-6,9,18H2,1H3.
What are the key properties of 3-(2-methylpyrazol-3-yl)-1-[3-(trifluoromethyl)cyclohexyl]propan-1-amine?
3-(2-methylpyrazol-3-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-(2-methylpyrazol-3-yl)-1-[3-(trifluoromethyl)cyclohexyl]propan-1-amine is sourced from PubChem (CID 103030834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).