1-(1-cyclopropylethyl)-3-(4-fluorophenyl)pyrazol-4-amine

C14H16FN3 — CID 83218426

IUPAC1-(1-cyclopropylethyl)-3-(4-fluorophenyl)pyrazol-4-amine
SMILESCC(C1CC1)n1cc(N)c(-c2ccc(F)cc2)n1
InChIInChI=1S/C14H16FN3/c1-9(10-2-3-10)18-8-13(16)14(17-18)11-4-6-12(15)7-5-11/h4-10H,2-3,16H2,1H3
InChIKeyNPZONQVVCDSWGQ-UHFFFAOYSA-N
MW245.30 g/mol
LogP3.24
Rot. Bonds3

About 1-(1-cyclopropylethyl)-3-(4-fluorophenyl)pyrazol-4-amine

1-(1-cyclopropylethyl)-3-(4-fluorophenyl)pyrazol-4-amine (PubChem CID 83218426) has the molecular formula C14H16FN3 and a molecular weight of 245.30 g/mol. Its IUPAC name is 1-(1-cyclopropylethyl)-3-(4-fluorophenyl)pyrazol-4-amine.

Molecular Properties

Compound Name1-(1-cyclopropylethyl)-3-(4-fluorophenyl)pyrazol-4-amine
PubChem CID83218426
Molecular FormulaC14H16FN3
Molecular Weight245.30 g/mol
Exact Mass245.13
IUPAC Name1-(1-cyclopropylethyl)-3-(4-fluorophenyl)pyrazol-4-amine
SMILESCC(C1CC1)n1cc(N)c(-c2ccc(F)cc2)n1
InChIInChI=1S/C14H16FN3/c1-9(10-2-3-10)18-8-13(16)14(17-18)11-4-6-12(15)7-5-11/h4-10H,2-3,16H2,1H3
InChIKeyNPZONQVVCDSWGQ-UHFFFAOYSA-N
XLogP3.24
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(1-cyclopropylethyl)-3-(4-fluorophenyl)pyrazol-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopropylethyl)-3-(4-fluorophenyl)pyrazol-4-amine?
The IUPAC name of 1-(1-cyclopropylethyl)-3-(4-fluorophenyl)pyrazol-4-amine (CID 83218426) is 1-(1-cyclopropylethyl)-3-(4-fluorophenyl)pyrazol-4-amine.
What is the SMILES notation for 1-(1-cyclopropylethyl)-3-(4-fluorophenyl)pyrazol-4-amine?
The canonical SMILES for 1-(1-cyclopropylethyl)-3-(4-fluorophenyl)pyrazol-4-amine is CC(C1CC1)n1cc(N)c(-c2ccc(F)cc2)n1.
What is the InChIKey of 1-(1-cyclopropylethyl)-3-(4-fluorophenyl)pyrazol-4-amine?
The InChIKey is NPZONQVVCDSWGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3/c1-9(10-2-3-10)18-8-13(16)14(17-18)11-4-6-12(15)7-5-11/h4-10H,2-3,16H2,1H3.
What are the key properties of 1-(1-cyclopropylethyl)-3-(4-fluorophenyl)pyrazol-4-amine?
1-(1-cyclopropylethyl)-3-(4-fluorophenyl)pyrazol-4-amine has a molecular weight of 245.30 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopropylethyl)-3-(4-fluorophenyl)pyrazol-4-amine is sourced from PubChem (CID 83218426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).