3-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]cyclopentan-1-amine

C12H18F3N3 — CID 134331628

IUPAC3-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]cyclopentan-1-amine
SMILESCC(C)c1cc(C(F)(F)F)nn1C1CCC(N)C1
InChIInChI=1S/C12H18F3N3/c1-7(2)10-6-11(12(13,14)15)17-18(10)9-4-3-8(16)5-9/h6-9H,3-5,16H2,1-2H3
InChIKeyFMPKIPXZZANARY-UHFFFAOYSA-N
MW261.29 g/mol
LogP3.08
Rot. Bonds2

About 3-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]cyclopentan-1-amine

3-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]cyclopentan-1-amine (PubChem CID 134331628) has the molecular formula C12H18F3N3 and a molecular weight of 261.29 g/mol. Its IUPAC name is 3-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]cyclopentan-1-amine.

Molecular Properties

Compound Name3-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]cyclopentan-1-amine
PubChem CID134331628
Molecular FormulaC12H18F3N3
Molecular Weight261.29 g/mol
Exact Mass261.15
IUPAC Name3-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]cyclopentan-1-amine
SMILESCC(C)c1cc(C(F)(F)F)nn1C1CCC(N)C1
InChIInChI=1S/C12H18F3N3/c1-7(2)10-6-11(12(13,14)15)17-18(10)9-4-3-8(16)5-9/h6-9H,3-5,16H2,1-2H3
InChIKeyFMPKIPXZZANARY-UHFFFAOYSA-N
XLogP3.08
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-cyclopropyl-1-methyl-1H-pyrazol-5-yl)methanamine
CID 33781805
2-(1,3-Dimethyl-1H-pyrazol-5-YL)ethanamine
CID 53415550
{2-[5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-1-methylethyl}amine
CID 19620826
3-(5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)propan-1-amine
CID 7018524
(5-cyclopropyl-1-methyl-1H-pyrazol-3-yl)methanamine
CID 33781822
2-(1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl)ethan-1-amine
CID 71833007
1-[1-methyl-3-(propan-2-yl)-1H-pyrazol-5-yl]methanamine dihydrochloride
CID 165949668
4-(2-ethyl-5-methyl-2H-pyrazol-3-yl)-piperidine
CID 11708208
3-(3,5-dimethyl-1H-pyrazol-1-yl)-2-methylpropan-1-amine
CID 19616567
N-[(2,5-dimethylpyrazol-3-yl)methyl]-3-fluorocyclopentan-1-amine
CID 126791965
{2-methyl-3-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propyl}amine
CID 19615492
5-Butyl-1-(1,1,1,3,3,3-hexafluoropropan-2-yl)-3-(trifluoromethyl)pyrazole
CID 21724083

Frequently Asked Questions

What is the IUPAC name of 3-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]cyclopentan-1-amine?
The IUPAC name of 3-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]cyclopentan-1-amine (CID 134331628) is 3-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]cyclopentan-1-amine.
What is the SMILES notation for 3-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]cyclopentan-1-amine?
The canonical SMILES for 3-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]cyclopentan-1-amine is CC(C)c1cc(C(F)(F)F)nn1C1CCC(N)C1.
What is the InChIKey of 3-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]cyclopentan-1-amine?
The InChIKey is FMPKIPXZZANARY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3/c1-7(2)10-6-11(12(13,14)15)17-18(10)9-4-3-8(16)5-9/h6-9H,3-5,16H2,1-2H3.
What are the key properties of 3-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]cyclopentan-1-amine?
3-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]cyclopentan-1-amine has a molecular weight of 261.29 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]cyclopentan-1-amine is sourced from PubChem (CID 134331628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).