2-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethynyl]pyrimidine

C15H9FN4 — CID 130205699

IUPAC2-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethynyl]pyrimidine
SMILESFc1ccc(-n2ccc(C#Cc3ncccn3)n2)cc1
InChIInChI=1S/C15H9FN4/c16-12-2-5-14(6-3-12)20-11-8-13(19-20)4-7-15-17-9-1-10-18-15/h1-3,5-6,8-11H
InChIKeyDCAODQXUGBBNQQ-UHFFFAOYSA-N
MW264.26 g/mol
LogP2.20
Rot. Bonds1

About 2-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethynyl]pyrimidine

2-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethynyl]pyrimidine (PubChem CID 130205699) has the molecular formula C15H9FN4 and a molecular weight of 264.26 g/mol. Its IUPAC name is 2-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethynyl]pyrimidine.

Molecular Properties

Compound Name2-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethynyl]pyrimidine
PubChem CID130205699
Molecular FormulaC15H9FN4
Molecular Weight264.26 g/mol
Exact Mass264.08
IUPAC Name2-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethynyl]pyrimidine
SMILESFc1ccc(-n2ccc(C#Cc3ncccn3)n2)cc1
InChIInChI=1S/C15H9FN4/c16-12-2-5-14(6-3-12)20-11-8-13(19-20)4-7-15-17-9-1-10-18-15/h1-3,5-6,8-11H
InChIKeyDCAODQXUGBBNQQ-UHFFFAOYSA-N
XLogP2.20
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.26
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethynyl]pyrimidine?
The IUPAC name of 2-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethynyl]pyrimidine (CID 130205699) is 2-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethynyl]pyrimidine.
What is the SMILES notation for 2-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethynyl]pyrimidine?
The canonical SMILES for 2-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethynyl]pyrimidine is Fc1ccc(-n2ccc(C#Cc3ncccn3)n2)cc1.
What is the InChIKey of 2-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethynyl]pyrimidine?
The InChIKey is DCAODQXUGBBNQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9FN4/c16-12-2-5-14(6-3-12)20-11-8-13(19-20)4-7-15-17-9-1-10-18-15/h1-3,5-6,8-11H.
What are the key properties of 2-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethynyl]pyrimidine?
2-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethynyl]pyrimidine has a molecular weight of 264.26 g/mol, XLogP of 2.20, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethynyl]pyrimidine is sourced from PubChem (CID 130205699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).