2-[2-fluoro-5-(1H-pyrazol-4-yl)-4-pyridin-4-ylphenyl]-N,N-dimethylethanamine

C18H19FN4 — CID 140512408

IUPAC2-[2-fluoro-5-(1H-pyrazol-4-yl)-4-pyridin-4-ylphenyl]-N,N-dimethylethanamine
SMILESCN(C)CCc1cc(-c2cn[nH]c2)c(-c2ccncc2)cc1F
InChIInChI=1S/C18H19FN4/c1-23(2)8-5-14-9-16(15-11-21-22-12-15)17(10-18(14)19)13-3-6-20-7-4-13/h3-4,6-7,9-12H,5,8H2,1-2H3,(H,21,22)
InChIKeySTNKKVGBGAYQLE-UHFFFAOYSA-N
MW310.38 g/mol
LogP3.38
Rot. Bonds5

About 2-[2-fluoro-5-(1H-pyrazol-4-yl)-4-pyridin-4-ylphenyl]-N,N-dimethylethanamine

2-[2-fluoro-5-(1H-pyrazol-4-yl)-4-pyridin-4-ylphenyl]-N,N-dimethylethanamine (PubChem CID 140512408) has the molecular formula C18H19FN4 and a molecular weight of 310.38 g/mol. Its IUPAC name is 2-[2-fluoro-5-(1H-pyrazol-4-yl)-4-pyridin-4-ylphenyl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[2-fluoro-5-(1H-pyrazol-4-yl)-4-pyridin-4-ylphenyl]-N,N-dimethylethanamine
PubChem CID140512408
Molecular FormulaC18H19FN4
Molecular Weight310.38 g/mol
Exact Mass310.16
IUPAC Name2-[2-fluoro-5-(1H-pyrazol-4-yl)-4-pyridin-4-ylphenyl]-N,N-dimethylethanamine
SMILESCN(C)CCc1cc(-c2cn[nH]c2)c(-c2ccncc2)cc1F
InChIInChI=1S/C18H19FN4/c1-23(2)8-5-14-9-16(15-11-21-22-12-15)17(10-18(14)19)13-3-6-20-7-4-13/h3-4,6-7,9-12H,5,8H2,1-2H3,(H,21,22)
InChIKeySTNKKVGBGAYQLE-UHFFFAOYSA-N
XLogP3.38
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-5-(1H-pyrazol-4-yl)-4-pyridin-4-ylphenyl]-N,N-dimethylethanamine?
The IUPAC name of 2-[2-fluoro-5-(1H-pyrazol-4-yl)-4-pyridin-4-ylphenyl]-N,N-dimethylethanamine (CID 140512408) is 2-[2-fluoro-5-(1H-pyrazol-4-yl)-4-pyridin-4-ylphenyl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[2-fluoro-5-(1H-pyrazol-4-yl)-4-pyridin-4-ylphenyl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[2-fluoro-5-(1H-pyrazol-4-yl)-4-pyridin-4-ylphenyl]-N,N-dimethylethanamine is CN(C)CCc1cc(-c2cn[nH]c2)c(-c2ccncc2)cc1F.
What is the InChIKey of 2-[2-fluoro-5-(1H-pyrazol-4-yl)-4-pyridin-4-ylphenyl]-N,N-dimethylethanamine?
The InChIKey is STNKKVGBGAYQLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4/c1-23(2)8-5-14-9-16(15-11-21-22-12-15)17(10-18(14)19)13-3-6-20-7-4-13/h3-4,6-7,9-12H,5,8H2,1-2H3,(H,21,22).
What are the key properties of 2-[2-fluoro-5-(1H-pyrazol-4-yl)-4-pyridin-4-ylphenyl]-N,N-dimethylethanamine?
2-[2-fluoro-5-(1H-pyrazol-4-yl)-4-pyridin-4-ylphenyl]-N,N-dimethylethanamine has a molecular weight of 310.38 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoro-5-(1H-pyrazol-4-yl)-4-pyridin-4-ylphenyl]-N,N-dimethylethanamine is sourced from PubChem (CID 140512408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).