2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-[2-(trifluoromethyl)cyclohexyl]ethanamine

C14H21ClF3N3 — CID 105180372

IUPAC2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-[2-(trifluoromethyl)cyclohexyl]ethanamine
SMILESCc1nn(C)c(Cl)c1CC(N)C1CCCCC1C(F)(F)F
InChIInChI=1S/C14H21ClF3N3/c1-8-10(13(15)21(2)20-8)7-12(19)9-5-3-4-6-11(9)14(16,17)18/h9,11-12H,3-7,19H2,1-2H3
InChIKeyAEYQDNOYIGJZJC-UHFFFAOYSA-N
MW323.79 g/mol
LogP3.62
Rot. Bonds3

About 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-[2-(trifluoromethyl)cyclohexyl]ethanamine

2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-[2-(trifluoromethyl)cyclohexyl]ethanamine (PubChem CID 105180372) has the molecular formula C14H21ClF3N3 and a molecular weight of 323.79 g/mol. Its IUPAC name is 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-[2-(trifluoromethyl)cyclohexyl]ethanamine.

Molecular Properties

Compound Name2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-[2-(trifluoromethyl)cyclohexyl]ethanamine
PubChem CID105180372
Molecular FormulaC14H21ClF3N3
Molecular Weight323.79 g/mol
Exact Mass323.14
IUPAC Name2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-[2-(trifluoromethyl)cyclohexyl]ethanamine
SMILESCc1nn(C)c(Cl)c1CC(N)C1CCCCC1C(F)(F)F
InChIInChI=1S/C14H21ClF3N3/c1-8-10(13(15)21(2)20-8)7-12(19)9-5-3-4-6-11(9)14(16,17)18/h9,11-12H,3-7,19H2,1-2H3
InChIKeyAEYQDNOYIGJZJC-UHFFFAOYSA-N
XLogP3.62
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.79
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-[2-(trifluoromethyl)cyclohexyl]ethanamine?
The IUPAC name of 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-[2-(trifluoromethyl)cyclohexyl]ethanamine (CID 105180372) is 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-[2-(trifluoromethyl)cyclohexyl]ethanamine.
What is the SMILES notation for 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-[2-(trifluoromethyl)cyclohexyl]ethanamine?
The canonical SMILES for 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-[2-(trifluoromethyl)cyclohexyl]ethanamine is Cc1nn(C)c(Cl)c1CC(N)C1CCCCC1C(F)(F)F.
What is the InChIKey of 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-[2-(trifluoromethyl)cyclohexyl]ethanamine?
The InChIKey is AEYQDNOYIGJZJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClF3N3/c1-8-10(13(15)21(2)20-8)7-12(19)9-5-3-4-6-11(9)14(16,17)18/h9,11-12H,3-7,19H2,1-2H3.
What are the key properties of 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-[2-(trifluoromethyl)cyclohexyl]ethanamine?
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-[2-(trifluoromethyl)cyclohexyl]ethanamine has a molecular weight of 323.79 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-[2-(trifluoromethyl)cyclohexyl]ethanamine is sourced from PubChem (CID 105180372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).