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

C19H12FN3OS — CID 1476731

IUPAC(4-fluorophenyl)-[3-(2-phenyl-1,3-thiazol-5-yl)pyrazol-1-yl]methanone
SMILESO=C(c1ccc(F)cc1)n1ccc(-c2cnc(-c3ccccc3)s2)n1
InChIInChI=1S/C19H12FN3OS/c20-15-8-6-14(7-9-15)19(24)23-11-10-16(22-23)17-12-21-18(25-17)13-4-2-1-3-5-13/h1-12H
InChIKeyIFOCPCKYUOWVCL-UHFFFAOYSA-N
MW349.39 g/mol
LogP4.50
Rot. Bonds3

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

(4-fluorophenyl)-[3-(2-phenyl-1,3-thiazol-5-yl)pyrazol-1-yl]methanone (PubChem CID 1476731) has the molecular formula C19H12FN3OS and a molecular weight of 349.39 g/mol. Its IUPAC name is (4-fluorophenyl)-[3-(2-phenyl-1,3-thiazol-5-yl)pyrazol-1-yl]methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-[3-(2-phenyl-1,3-thiazol-5-yl)pyrazol-1-yl]methanone
PubChem CID1476731
Molecular FormulaC19H12FN3OS
Molecular Weight349.39 g/mol
Exact Mass349.07
IUPAC Name(4-fluorophenyl)-[3-(2-phenyl-1,3-thiazol-5-yl)pyrazol-1-yl]methanone
SMILESO=C(c1ccc(F)cc1)n1ccc(-c2cnc(-c3ccccc3)s2)n1
InChIInChI=1S/C19H12FN3OS/c20-15-8-6-14(7-9-15)19(24)23-11-10-16(22-23)17-12-21-18(25-17)13-4-2-1-3-5-13/h1-12H
InChIKeyIFOCPCKYUOWVCL-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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Related Compounds

phenyl[3-(2-thienyl)-1H-pyrazol-1-yl]methanone
CID 2814851
5-[1-[(4-Fluorophenyl)methyl]-3-pyrazolyl]-2-phenylthiazole
CID 1476746
5-(1-benzyl-1H-pyrazol-3-yl)-2-phenyl-1,3-thiazole
CID 1476747
Phenyl-[3-(2-phenyl-1,3-thiazol-5-yl)pyrazol-1-yl]methanone
CID 1476749
2-fluoro-N-[(E)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]benzamide
CID 6904822
N-[(2S)-1-amino-4-cyclohexyl-1-oxobutan-2-yl]-2-[[[1-phenyl-5-(trifluoromethyl)pyrazole-4-carbonyl]amino]methyl]-1,3-thiazole-5-carboxamide
CID 155560224
[3-(2-thienyl)-1H-pyrazol-1-yl][4-(trifluoromethyl)phenyl]methanone
CID 2814853
2-fluoro-N-[5-(1-methyl-3-phenylpyrazol-5-yl)-1,3-thiazol-2-yl]benzamide
CID 56848250
2-fluoro-N-[5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-1,3-thiazol-2-yl]benzamide
CID 56848298
N-(2,6-difluorophenyl)-5-[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]thiophene-2-carboxamide
CID 68062159
N-(2-fluorophenyl)-5-[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]thiophene-2-carboxamide
CID 68062173
N-(3,5-difluoro-4-pyridinyl)-5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]thiophene-2-carboxamide
CID 68062356

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[3-(2-phenyl-1,3-thiazol-5-yl)pyrazol-1-yl]methanone?
The IUPAC name of (4-fluorophenyl)-[3-(2-phenyl-1,3-thiazol-5-yl)pyrazol-1-yl]methanone (CID 1476731) is (4-fluorophenyl)-[3-(2-phenyl-1,3-thiazol-5-yl)pyrazol-1-yl]methanone.
What is the SMILES notation for (4-fluorophenyl)-[3-(2-phenyl-1,3-thiazol-5-yl)pyrazol-1-yl]methanone?
The canonical SMILES for (4-fluorophenyl)-[3-(2-phenyl-1,3-thiazol-5-yl)pyrazol-1-yl]methanone is O=C(c1ccc(F)cc1)n1ccc(-c2cnc(-c3ccccc3)s2)n1.
What is the InChIKey of (4-fluorophenyl)-[3-(2-phenyl-1,3-thiazol-5-yl)pyrazol-1-yl]methanone?
The InChIKey is IFOCPCKYUOWVCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12FN3OS/c20-15-8-6-14(7-9-15)19(24)23-11-10-16(22-23)17-12-21-18(25-17)13-4-2-1-3-5-13/h1-12H.
What are the key properties of (4-fluorophenyl)-[3-(2-phenyl-1,3-thiazol-5-yl)pyrazol-1-yl]methanone?
(4-fluorophenyl)-[3-(2-phenyl-1,3-thiazol-5-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)-[3-(2-phenyl-1,3-thiazol-5-yl)pyrazol-1-yl]methanone is sourced from PubChem (CID 1476731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).