(4-fluorophenyl)-[5-(2-phenyl-1,3-thiazol-4-yl)pyrazol-1-yl]methanone

C19H12FN3OS — CID 2744790

IUPAC(4-fluorophenyl)-[5-(2-phenyl-1,3-thiazol-4-yl)pyrazol-1-yl]methanone
SMILESO=C(c1ccc(F)cc1)n1nccc1-c1csc(-c2ccccc2)n1
InChIInChI=1S/C19H12FN3OS/c20-15-8-6-14(7-9-15)19(24)23-17(10-11-21-23)16-12-25-18(22-16)13-4-2-1-3-5-13/h1-12H
InChIKeyRYDAWLGILLADSQ-UHFFFAOYSA-N
MW349.39 g/mol
LogP4.50
Rot. Bonds3

About (4-fluorophenyl)-[5-(2-phenyl-1,3-thiazol-4-yl)pyrazol-1-yl]methanone

(4-fluorophenyl)-[5-(2-phenyl-1,3-thiazol-4-yl)pyrazol-1-yl]methanone (PubChem CID 2744790) has the molecular formula C19H12FN3OS and a molecular weight of 349.39 g/mol. Its IUPAC name is (4-fluorophenyl)-[5-(2-phenyl-1,3-thiazol-4-yl)pyrazol-1-yl]methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-[5-(2-phenyl-1,3-thiazol-4-yl)pyrazol-1-yl]methanone
PubChem CID2744790
Molecular FormulaC19H12FN3OS
Molecular Weight349.39 g/mol
Exact Mass349.07
IUPAC Name(4-fluorophenyl)-[5-(2-phenyl-1,3-thiazol-4-yl)pyrazol-1-yl]methanone
SMILESO=C(c1ccc(F)cc1)n1nccc1-c1csc(-c2ccccc2)n1
InChIInChI=1S/C19H12FN3OS/c20-15-8-6-14(7-9-15)19(24)23-17(10-11-21-23)16-12-25-18(22-16)13-4-2-1-3-5-13/h1-12H
InChIKeyRYDAWLGILLADSQ-UHFFFAOYSA-N
XLogP4.50
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[5-(2-phenyl-1,3-thiazol-4-yl)pyrazol-1-yl]methanone?
The IUPAC name of (4-fluorophenyl)-[5-(2-phenyl-1,3-thiazol-4-yl)pyrazol-1-yl]methanone (CID 2744790) is (4-fluorophenyl)-[5-(2-phenyl-1,3-thiazol-4-yl)pyrazol-1-yl]methanone.
What is the SMILES notation for (4-fluorophenyl)-[5-(2-phenyl-1,3-thiazol-4-yl)pyrazol-1-yl]methanone?
The canonical SMILES for (4-fluorophenyl)-[5-(2-phenyl-1,3-thiazol-4-yl)pyrazol-1-yl]methanone is O=C(c1ccc(F)cc1)n1nccc1-c1csc(-c2ccccc2)n1.
What is the InChIKey of (4-fluorophenyl)-[5-(2-phenyl-1,3-thiazol-4-yl)pyrazol-1-yl]methanone?
The InChIKey is RYDAWLGILLADSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12FN3OS/c20-15-8-6-14(7-9-15)19(24)23-17(10-11-21-23)16-12-25-18(22-16)13-4-2-1-3-5-13/h1-12H.
What are the key properties of (4-fluorophenyl)-[5-(2-phenyl-1,3-thiazol-4-yl)pyrazol-1-yl]methanone?
(4-fluorophenyl)-[5-(2-phenyl-1,3-thiazol-4-yl)pyrazol-1-yl]methanone has a molecular weight of 349.39 g/mol, XLogP of 4.50, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[5-(2-phenyl-1,3-thiazol-4-yl)pyrazol-1-yl]methanone is sourced from PubChem (CID 2744790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).