1-cyclopentyl-N,4-dimethyl-3-(trifluoromethyl)pyrazol-5-amine

C11H16F3N3 — CID 139354629

IUPAC1-cyclopentyl-N,4-dimethyl-3-(trifluoromethyl)pyrazol-5-amine
SMILESCNc1c(C)c(C(F)(F)F)nn1C1CCCC1
InChIInChI=1S/C11H16F3N3/c1-7-9(11(12,13)14)16-17(10(7)15-2)8-5-3-4-6-8/h8,15H,3-6H2,1-2H3
InChIKeyJLIAXGVKHVUSGO-UHFFFAOYSA-N
MW247.26 g/mol
LogP3.37
Rot. Bonds2

About 1-cyclopentyl-N,4-dimethyl-3-(trifluoromethyl)pyrazol-5-amine

1-cyclopentyl-N,4-dimethyl-3-(trifluoromethyl)pyrazol-5-amine (PubChem CID 139354629) has the molecular formula C11H16F3N3 and a molecular weight of 247.26 g/mol. Its IUPAC name is 1-cyclopentyl-N,4-dimethyl-3-(trifluoromethyl)pyrazol-5-amine.

Molecular Properties

Compound Name1-cyclopentyl-N,4-dimethyl-3-(trifluoromethyl)pyrazol-5-amine
PubChem CID139354629
Molecular FormulaC11H16F3N3
Molecular Weight247.26 g/mol
Exact Mass247.13
IUPAC Name1-cyclopentyl-N,4-dimethyl-3-(trifluoromethyl)pyrazol-5-amine
SMILESCNc1c(C)c(C(F)(F)F)nn1C1CCCC1
InChIInChI=1S/C11H16F3N3/c1-7-9(11(12,13)14)16-17(10(7)15-2)8-5-3-4-6-8/h8,15H,3-6H2,1-2H3
InChIKeyJLIAXGVKHVUSGO-UHFFFAOYSA-N
XLogP3.37
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N,4-dimethyl-3-(trifluoromethyl)pyrazol-5-amine?
The IUPAC name of 1-cyclopentyl-N,4-dimethyl-3-(trifluoromethyl)pyrazol-5-amine (CID 139354629) is 1-cyclopentyl-N,4-dimethyl-3-(trifluoromethyl)pyrazol-5-amine.
What is the SMILES notation for 1-cyclopentyl-N,4-dimethyl-3-(trifluoromethyl)pyrazol-5-amine?
The canonical SMILES for 1-cyclopentyl-N,4-dimethyl-3-(trifluoromethyl)pyrazol-5-amine is CNc1c(C)c(C(F)(F)F)nn1C1CCCC1.
What is the InChIKey of 1-cyclopentyl-N,4-dimethyl-3-(trifluoromethyl)pyrazol-5-amine?
The InChIKey is JLIAXGVKHVUSGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3/c1-7-9(11(12,13)14)16-17(10(7)15-2)8-5-3-4-6-8/h8,15H,3-6H2,1-2H3.
What are the key properties of 1-cyclopentyl-N,4-dimethyl-3-(trifluoromethyl)pyrazol-5-amine?
1-cyclopentyl-N,4-dimethyl-3-(trifluoromethyl)pyrazol-5-amine has a molecular weight of 247.26 g/mol, XLogP of 3.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N,4-dimethyl-3-(trifluoromethyl)pyrazol-5-amine is sourced from PubChem (CID 139354629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).