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

C16H15FN4 — CID 22953668

IUPAC2-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]ethanamine
SMILESNCCc1[nH]nc(-c2ccc(F)cc2)c1-c1ccncc1
InChIInChI=1S/C16H15FN4/c17-13-3-1-12(2-4-13)16-15(11-6-9-19-10-7-11)14(5-8-18)20-21-16/h1-4,6-7,9-10H,5,8,18H2,(H,20,21)
InChIKeyAOHGYFAGTJZWLV-UHFFFAOYSA-N
MW282.32 g/mol
LogP2.78
Rot. Bonds4

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

2-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]ethanamine (PubChem CID 22953668) has the molecular formula C16H15FN4 and a molecular weight of 282.32 g/mol. Its IUPAC name is 2-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]ethanamine.

Molecular Properties

Compound Name2-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]ethanamine
PubChem CID22953668
Molecular FormulaC16H15FN4
Molecular Weight282.32 g/mol
Exact Mass282.13
IUPAC Name2-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]ethanamine
SMILESNCCc1[nH]nc(-c2ccc(F)cc2)c1-c1ccncc1
InChIInChI=1S/C16H15FN4/c17-13-3-1-12(2-4-13)16-15(11-6-9-19-10-7-11)14(5-8-18)20-21-16/h1-4,6-7,9-10H,5,8,18H2,(H,20,21)
InChIKeyAOHGYFAGTJZWLV-UHFFFAOYSA-N
XLogP2.78
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]ethanamine?
The IUPAC name of 2-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]ethanamine (CID 22953668) is 2-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]ethanamine.
What is the SMILES notation for 2-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]ethanamine?
The canonical SMILES for 2-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]ethanamine is NCCc1[nH]nc(-c2ccc(F)cc2)c1-c1ccncc1.
What is the InChIKey of 2-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]ethanamine?
The InChIKey is AOHGYFAGTJZWLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN4/c17-13-3-1-12(2-4-13)16-15(11-6-9-19-10-7-11)14(5-8-18)20-21-16/h1-4,6-7,9-10H,5,8,18H2,(H,20,21).
What are the key properties of 2-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]ethanamine?
2-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]ethanamine has a molecular weight of 282.32 g/mol, XLogP of 2.78, 4 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]ethanamine is sourced from PubChem (CID 22953668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).