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

C14H22F3N3 — CID 103030763

IUPAC3-(2-methylpyrazol-3-yl)-1-[2-(trifluoromethyl)cyclohexyl]propan-1-amine
SMILESCn1nccc1CCC(N)C1CCCCC1C(F)(F)F
InChIInChI=1S/C14H22F3N3/c1-20-10(8-9-19-20)6-7-13(18)11-4-2-3-5-12(11)14(15,16)17/h8-9,11-13H,2-7,18H2,1H3
InChIKeyFHAUQUFWOQYDMF-UHFFFAOYSA-N
MW289.34 g/mol
LogP3.05
Rot. Bonds4

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

3-(2-methylpyrazol-3-yl)-1-[2-(trifluoromethyl)cyclohexyl]propan-1-amine (PubChem CID 103030763) has the molecular formula C14H22F3N3 and a molecular weight of 289.34 g/mol. Its IUPAC name is 3-(2-methylpyrazol-3-yl)-1-[2-(trifluoromethyl)cyclohexyl]propan-1-amine.

Molecular Properties

Compound Name3-(2-methylpyrazol-3-yl)-1-[2-(trifluoromethyl)cyclohexyl]propan-1-amine
PubChem CID103030763
Molecular FormulaC14H22F3N3
Molecular Weight289.34 g/mol
Exact Mass289.18
IUPAC Name3-(2-methylpyrazol-3-yl)-1-[2-(trifluoromethyl)cyclohexyl]propan-1-amine
SMILESCn1nccc1CCC(N)C1CCCCC1C(F)(F)F
InChIInChI=1S/C14H22F3N3/c1-20-10(8-9-19-20)6-7-13(18)11-4-2-3-5-12(11)14(15,16)17/h8-9,11-13H,2-7,18H2,1H3
InChIKeyFHAUQUFWOQYDMF-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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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpyrazol-3-yl)-1-[2-(trifluoromethyl)cyclohexyl]propan-1-amine?
The IUPAC name of 3-(2-methylpyrazol-3-yl)-1-[2-(trifluoromethyl)cyclohexyl]propan-1-amine (CID 103030763) is 3-(2-methylpyrazol-3-yl)-1-[2-(trifluoromethyl)cyclohexyl]propan-1-amine.
What is the SMILES notation for 3-(2-methylpyrazol-3-yl)-1-[2-(trifluoromethyl)cyclohexyl]propan-1-amine?
The canonical SMILES for 3-(2-methylpyrazol-3-yl)-1-[2-(trifluoromethyl)cyclohexyl]propan-1-amine is Cn1nccc1CCC(N)C1CCCCC1C(F)(F)F.
What is the InChIKey of 3-(2-methylpyrazol-3-yl)-1-[2-(trifluoromethyl)cyclohexyl]propan-1-amine?
The InChIKey is FHAUQUFWOQYDMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F3N3/c1-20-10(8-9-19-20)6-7-13(18)11-4-2-3-5-12(11)14(15,16)17/h8-9,11-13H,2-7,18H2,1H3.
What are the key properties of 3-(2-methylpyrazol-3-yl)-1-[2-(trifluoromethyl)cyclohexyl]propan-1-amine?
3-(2-methylpyrazol-3-yl)-1-[2-(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-[2-(trifluoromethyl)cyclohexyl]propan-1-amine is sourced from PubChem (CID 103030763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).