2-cyclopentyl-4-methyl-5-(2,2,2-trifluoroethyl)pyrazol-3-amine

C11H16F3N3 — CID 144862318

IUPAC2-cyclopentyl-4-methyl-5-(2,2,2-trifluoroethyl)pyrazol-3-amine
SMILESCc1c(CC(F)(F)F)nn(C2CCCC2)c1N
InChIInChI=1S/C11H16F3N3/c1-7-9(6-11(12,13)14)16-17(10(7)15)8-4-2-3-5-8/h8H,2-6,15H2,1H3
InChIKeyPLJDJHHQXQUXNT-UHFFFAOYSA-N
MW247.26 g/mol
LogP2.99
Rot. Bonds2

About 2-cyclopentyl-4-methyl-5-(2,2,2-trifluoroethyl)pyrazol-3-amine

2-cyclopentyl-4-methyl-5-(2,2,2-trifluoroethyl)pyrazol-3-amine (PubChem CID 144862318) has the molecular formula C11H16F3N3 and a molecular weight of 247.26 g/mol. Its IUPAC name is 2-cyclopentyl-4-methyl-5-(2,2,2-trifluoroethyl)pyrazol-3-amine.

Molecular Properties

Compound Name2-cyclopentyl-4-methyl-5-(2,2,2-trifluoroethyl)pyrazol-3-amine
PubChem CID144862318
Molecular FormulaC11H16F3N3
Molecular Weight247.26 g/mol
Exact Mass247.13
IUPAC Name2-cyclopentyl-4-methyl-5-(2,2,2-trifluoroethyl)pyrazol-3-amine
SMILESCc1c(CC(F)(F)F)nn(C2CCCC2)c1N
InChIInChI=1S/C11H16F3N3/c1-7-9(6-11(12,13)14)16-17(10(7)15)8-4-2-3-5-8/h8H,2-6,15H2,1H3
InChIKeyPLJDJHHQXQUXNT-UHFFFAOYSA-N
XLogP2.99
TPSA43.84 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 ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-4-methyl-5-(2,2,2-trifluoroethyl)pyrazol-3-amine?
The IUPAC name of 2-cyclopentyl-4-methyl-5-(2,2,2-trifluoroethyl)pyrazol-3-amine (CID 144862318) is 2-cyclopentyl-4-methyl-5-(2,2,2-trifluoroethyl)pyrazol-3-amine.
What is the SMILES notation for 2-cyclopentyl-4-methyl-5-(2,2,2-trifluoroethyl)pyrazol-3-amine?
The canonical SMILES for 2-cyclopentyl-4-methyl-5-(2,2,2-trifluoroethyl)pyrazol-3-amine is Cc1c(CC(F)(F)F)nn(C2CCCC2)c1N.
What is the InChIKey of 2-cyclopentyl-4-methyl-5-(2,2,2-trifluoroethyl)pyrazol-3-amine?
The InChIKey is PLJDJHHQXQUXNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3/c1-7-9(6-11(12,13)14)16-17(10(7)15)8-4-2-3-5-8/h8H,2-6,15H2,1H3.
What are the key properties of 2-cyclopentyl-4-methyl-5-(2,2,2-trifluoroethyl)pyrazol-3-amine?
2-cyclopentyl-4-methyl-5-(2,2,2-trifluoroethyl)pyrazol-3-amine has a molecular weight of 247.26 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-4-methyl-5-(2,2,2-trifluoroethyl)pyrazol-3-amine is sourced from PubChem (CID 144862318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).