3-cyclopentyl-1-(2-fluorophenyl)pyrazol-4-amine

C14H16FN3 — CID 83222917

IUPAC3-cyclopentyl-1-(2-fluorophenyl)pyrazol-4-amine
SMILESNc1cn(-c2ccccc2F)nc1C1CCCC1
InChIInChI=1S/C14H16FN3/c15-11-7-3-4-8-13(11)18-9-12(16)14(17-18)10-5-1-2-6-10/h3-4,7-10H,1-2,5-6,16H2
InChIKeyHEXXVKDZUWYAEK-UHFFFAOYSA-N
MW245.30 g/mol
LogP3.25
Rot. Bonds2

About 3-cyclopentyl-1-(2-fluorophenyl)pyrazol-4-amine

3-cyclopentyl-1-(2-fluorophenyl)pyrazol-4-amine (PubChem CID 83222917) has the molecular formula C14H16FN3 and a molecular weight of 245.30 g/mol. Its IUPAC name is 3-cyclopentyl-1-(2-fluorophenyl)pyrazol-4-amine.

Molecular Properties

Compound Name3-cyclopentyl-1-(2-fluorophenyl)pyrazol-4-amine
PubChem CID83222917
Molecular FormulaC14H16FN3
Molecular Weight245.30 g/mol
Exact Mass245.13
IUPAC Name3-cyclopentyl-1-(2-fluorophenyl)pyrazol-4-amine
SMILESNc1cn(-c2ccccc2F)nc1C1CCCC1
InChIInChI=1S/C14H16FN3/c15-11-7-3-4-8-13(11)18-9-12(16)14(17-18)10-5-1-2-6-10/h3-4,7-10H,1-2,5-6,16H2
InChIKeyHEXXVKDZUWYAEK-UHFFFAOYSA-N
XLogP3.25
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-1-(2-fluorophenyl)pyrazol-4-amine?
The IUPAC name of 3-cyclopentyl-1-(2-fluorophenyl)pyrazol-4-amine (CID 83222917) is 3-cyclopentyl-1-(2-fluorophenyl)pyrazol-4-amine.
What is the SMILES notation for 3-cyclopentyl-1-(2-fluorophenyl)pyrazol-4-amine?
The canonical SMILES for 3-cyclopentyl-1-(2-fluorophenyl)pyrazol-4-amine is Nc1cn(-c2ccccc2F)nc1C1CCCC1.
What is the InChIKey of 3-cyclopentyl-1-(2-fluorophenyl)pyrazol-4-amine?
The InChIKey is HEXXVKDZUWYAEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3/c15-11-7-3-4-8-13(11)18-9-12(16)14(17-18)10-5-1-2-6-10/h3-4,7-10H,1-2,5-6,16H2.
What are the key properties of 3-cyclopentyl-1-(2-fluorophenyl)pyrazol-4-amine?
3-cyclopentyl-1-(2-fluorophenyl)pyrazol-4-amine has a molecular weight of 245.30 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-1-(2-fluorophenyl)pyrazol-4-amine is sourced from PubChem (CID 83222917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).