2-[3-(4-fluorophenyl)-4-(2-fluoro-4-pyridinyl)pyrazol-1-yl]-N,N-dimethylethanamine

C18H18F2N4 — CID 22037258

IUPAC2-[3-(4-fluorophenyl)-4-(2-fluoro-4-pyridinyl)pyrazol-1-yl]-N,N-dimethylethanamine
SMILESCN(C)CCn1cc(-c2ccnc(F)c2)c(-c2ccc(F)cc2)n1
InChIInChI=1S/C18H18F2N4/c1-23(2)9-10-24-12-16(14-7-8-21-17(20)11-14)18(22-24)13-3-5-15(19)6-4-13/h3-8,11-12H,9-10H2,1-2H3
InChIKeyLRLNQCXQROFICN-UHFFFAOYSA-N
MW328.37 g/mol
LogP3.45
Rot. Bonds5

About 2-[3-(4-fluorophenyl)-4-(2-fluoro-4-pyridinyl)pyrazol-1-yl]-N,N-dimethylethanamine

2-[3-(4-fluorophenyl)-4-(2-fluoro-4-pyridinyl)pyrazol-1-yl]-N,N-dimethylethanamine (PubChem CID 22037258) has the molecular formula C18H18F2N4 and a molecular weight of 328.37 g/mol. Its IUPAC name is 2-[3-(4-fluorophenyl)-4-(2-fluoro-4-pyridinyl)pyrazol-1-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[3-(4-fluorophenyl)-4-(2-fluoro-4-pyridinyl)pyrazol-1-yl]-N,N-dimethylethanamine
PubChem CID22037258
Molecular FormulaC18H18F2N4
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC Name2-[3-(4-fluorophenyl)-4-(2-fluoro-4-pyridinyl)pyrazol-1-yl]-N,N-dimethylethanamine
SMILESCN(C)CCn1cc(-c2ccnc(F)c2)c(-c2ccc(F)cc2)n1
InChIInChI=1S/C18H18F2N4/c1-23(2)9-10-24-12-16(14-7-8-21-17(20)11-14)18(22-24)13-3-5-15(19)6-4-13/h3-8,11-12H,9-10H2,1-2H3
InChIKeyLRLNQCXQROFICN-UHFFFAOYSA-N
XLogP3.45
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-[3-(4-fluorophenyl)-4-(2-fluoro-4-pyridinyl)pyrazol-1-yl]-N,N-dimethylethanamine 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 2-[3-(4-fluorophenyl)-4-(2-fluoro-4-pyridinyl)pyrazol-1-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[3-(4-fluorophenyl)-4-(2-fluoro-4-pyridinyl)pyrazol-1-yl]-N,N-dimethylethanamine (CID 22037258) is 2-[3-(4-fluorophenyl)-4-(2-fluoro-4-pyridinyl)pyrazol-1-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[3-(4-fluorophenyl)-4-(2-fluoro-4-pyridinyl)pyrazol-1-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[3-(4-fluorophenyl)-4-(2-fluoro-4-pyridinyl)pyrazol-1-yl]-N,N-dimethylethanamine is CN(C)CCn1cc(-c2ccnc(F)c2)c(-c2ccc(F)cc2)n1.
What is the InChIKey of 2-[3-(4-fluorophenyl)-4-(2-fluoro-4-pyridinyl)pyrazol-1-yl]-N,N-dimethylethanamine?
The InChIKey is LRLNQCXQROFICN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N4/c1-23(2)9-10-24-12-16(14-7-8-21-17(20)11-14)18(22-24)13-3-5-15(19)6-4-13/h3-8,11-12H,9-10H2,1-2H3.
What are the key properties of 2-[3-(4-fluorophenyl)-4-(2-fluoro-4-pyridinyl)pyrazol-1-yl]-N,N-dimethylethanamine?
2-[3-(4-fluorophenyl)-4-(2-fluoro-4-pyridinyl)pyrazol-1-yl]-N,N-dimethylethanamine has a molecular weight of 328.37 g/mol, XLogP of 3.45, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-fluorophenyl)-4-(2-fluoro-4-pyridinyl)pyrazol-1-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 22037258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).