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

C19H13N3OS — CID 1476749

IUPACphenyl-[3-(2-phenyl-1,3-thiazol-5-yl)pyrazol-1-yl]methanone
SMILESO=C(c1ccccc1)n1ccc(-c2cnc(-c3ccccc3)s2)n1
InChIInChI=1S/C19H13N3OS/c23-19(15-9-5-2-6-10-15)22-12-11-16(21-22)17-13-20-18(24-17)14-7-3-1-4-8-14/h1-13H
InChIKeyGBQUOUSKDRVTGB-UHFFFAOYSA-N
MW331.40 g/mol
LogP4.36
Rot. Bonds3

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

phenyl-[3-(2-phenyl-1,3-thiazol-5-yl)pyrazol-1-yl]methanone (PubChem CID 1476749) has the molecular formula C19H13N3OS and a molecular weight of 331.40 g/mol. Its IUPAC name is phenyl-[3-(2-phenyl-1,3-thiazol-5-yl)pyrazol-1-yl]methanone.

Molecular Properties

Compound Namephenyl-[3-(2-phenyl-1,3-thiazol-5-yl)pyrazol-1-yl]methanone
PubChem CID1476749
Molecular FormulaC19H13N3OS
Molecular Weight331.40 g/mol
Exact Mass331.08
IUPAC Namephenyl-[3-(2-phenyl-1,3-thiazol-5-yl)pyrazol-1-yl]methanone
SMILESO=C(c1ccccc1)n1ccc(-c2cnc(-c3ccccc3)s2)n1
InChIInChI=1S/C19H13N3OS/c23-19(15-9-5-2-6-10-15)22-12-11-16(21-22)17-13-20-18(24-17)14-7-3-1-4-8-14/h1-13H
InChIKeyGBQUOUSKDRVTGB-UHFFFAOYSA-N
XLogP4.36
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of phenyl-[3-(2-phenyl-1,3-thiazol-5-yl)pyrazol-1-yl]methanone?
The IUPAC name of phenyl-[3-(2-phenyl-1,3-thiazol-5-yl)pyrazol-1-yl]methanone (CID 1476749) is phenyl-[3-(2-phenyl-1,3-thiazol-5-yl)pyrazol-1-yl]methanone.
What is the SMILES notation for phenyl-[3-(2-phenyl-1,3-thiazol-5-yl)pyrazol-1-yl]methanone?
The canonical SMILES for phenyl-[3-(2-phenyl-1,3-thiazol-5-yl)pyrazol-1-yl]methanone is O=C(c1ccccc1)n1ccc(-c2cnc(-c3ccccc3)s2)n1.
What is the InChIKey of phenyl-[3-(2-phenyl-1,3-thiazol-5-yl)pyrazol-1-yl]methanone?
The InChIKey is GBQUOUSKDRVTGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N3OS/c23-19(15-9-5-2-6-10-15)22-12-11-16(21-22)17-13-20-18(24-17)14-7-3-1-4-8-14/h1-13H.
What are the key properties of phenyl-[3-(2-phenyl-1,3-thiazol-5-yl)pyrazol-1-yl]methanone?
phenyl-[3-(2-phenyl-1,3-thiazol-5-yl)pyrazol-1-yl]methanone has a molecular weight of 331.40 g/mol, XLogP of 4.36, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[3-(2-phenyl-1,3-thiazol-5-yl)pyrazol-1-yl]methanone is sourced from PubChem (CID 1476749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).