2-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-N-methylethanamine

C17H17FN4 — CID 22953669

IUPAC2-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-N-methylethanamine
SMILESCNCCc1[nH]nc(-c2ccc(F)cc2)c1-c1ccncc1
InChIInChI=1S/C17H17FN4/c1-19-9-8-15-16(12-6-10-20-11-7-12)17(22-21-15)13-2-4-14(18)5-3-13/h2-7,10-11,19H,8-9H2,1H3,(H,21,22)
InChIKeyBNXHCAVIMWAEOF-UHFFFAOYSA-N
MW296.35 g/mol
LogP3.04
Rot. Bonds5

About 2-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-N-methylethanamine

2-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-N-methylethanamine (PubChem CID 22953669) has the molecular formula C17H17FN4 and a molecular weight of 296.35 g/mol. Its IUPAC name is 2-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-N-methylethanamine.

Molecular Properties

Compound Name2-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-N-methylethanamine
PubChem CID22953669
Molecular FormulaC17H17FN4
Molecular Weight296.35 g/mol
Exact Mass296.14
IUPAC Name2-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-N-methylethanamine
SMILESCNCCc1[nH]nc(-c2ccc(F)cc2)c1-c1ccncc1
InChIInChI=1S/C17H17FN4/c1-19-9-8-15-16(12-6-10-20-11-7-12)17(22-21-15)13-2-4-14(18)5-3-13/h2-7,10-11,19H,8-9H2,1H3,(H,21,22)
InChIKeyBNXHCAVIMWAEOF-UHFFFAOYSA-N
XLogP3.04
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-N-methylethanamine 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-pyridin-4-yl-1H-pyrazol-5-yl]-N-methylethanamine?
The IUPAC name of 2-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-N-methylethanamine (CID 22953669) is 2-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-N-methylethanamine.
What is the SMILES notation for 2-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-N-methylethanamine?
The canonical SMILES for 2-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-N-methylethanamine is CNCCc1[nH]nc(-c2ccc(F)cc2)c1-c1ccncc1.
What is the InChIKey of 2-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-N-methylethanamine?
The InChIKey is BNXHCAVIMWAEOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4/c1-19-9-8-15-16(12-6-10-20-11-7-12)17(22-21-15)13-2-4-14(18)5-3-13/h2-7,10-11,19H,8-9H2,1H3,(H,21,22).
What are the key properties of 2-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-N-methylethanamine?
2-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-N-methylethanamine has a molecular weight of 296.35 g/mol, XLogP of 3.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-N-methylethanamine is sourced from PubChem (CID 22953669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).