4-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]butan-1-amine

C18H19FN4 — CID 22953896

IUPAC4-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]butan-1-amine
SMILESNCCCCc1[nH]nc(-c2ccc(F)cc2)c1-c1ccncc1
InChIInChI=1S/C18H19FN4/c19-15-6-4-14(5-7-15)18-17(13-8-11-21-12-9-13)16(22-23-18)3-1-2-10-20/h4-9,11-12H,1-3,10,20H2,(H,22,23)
InChIKeyQRVGXLLSPCCDMP-UHFFFAOYSA-N
MW310.38 g/mol
LogP3.56
Rot. Bonds6

About 4-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]butan-1-amine

4-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]butan-1-amine (PubChem CID 22953896) has the molecular formula C18H19FN4 and a molecular weight of 310.38 g/mol. Its IUPAC name is 4-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]butan-1-amine.

Molecular Properties

Compound Name4-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]butan-1-amine
PubChem CID22953896
Molecular FormulaC18H19FN4
Molecular Weight310.38 g/mol
Exact Mass310.16
IUPAC Name4-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]butan-1-amine
SMILESNCCCCc1[nH]nc(-c2ccc(F)cc2)c1-c1ccncc1
InChIInChI=1S/C18H19FN4/c19-15-6-4-14(5-7-15)18-17(13-8-11-21-12-9-13)16(22-23-18)3-1-2-10-20/h4-9,11-12H,1-3,10,20H2,(H,22,23)
InChIKeyQRVGXLLSPCCDMP-UHFFFAOYSA-N
XLogP3.56
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]butan-1-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 4-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]butan-1-amine?
The IUPAC name of 4-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]butan-1-amine (CID 22953896) is 4-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]butan-1-amine.
What is the SMILES notation for 4-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]butan-1-amine?
The canonical SMILES for 4-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]butan-1-amine is NCCCCc1[nH]nc(-c2ccc(F)cc2)c1-c1ccncc1.
What is the InChIKey of 4-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]butan-1-amine?
The InChIKey is QRVGXLLSPCCDMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4/c19-15-6-4-14(5-7-15)18-17(13-8-11-21-12-9-13)16(22-23-18)3-1-2-10-20/h4-9,11-12H,1-3,10,20H2,(H,22,23).
What are the key properties of 4-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]butan-1-amine?
4-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]butan-1-amine has a molecular weight of 310.38 g/mol, XLogP of 3.56, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]butan-1-amine is sourced from PubChem (CID 22953896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).