3-(4-chlorophenyl)-1-phenyl-5-thiophen-2-ylpyrazole

C19H13ClN2S — CID 10759352

IUPAC3-(4-chlorophenyl)-1-phenyl-5-thiophen-2-ylpyrazole
SMILESClc1ccc(-c2cc(-c3cccs3)n(-c3ccccc3)n2)cc1
InChIInChI=1S/C19H13ClN2S/c20-15-10-8-14(9-11-15)17-13-18(19-7-4-12-23-19)22(21-17)16-5-2-1-3-6-16/h1-13H
InChIKeyYDLIWKIMMUIQOV-UHFFFAOYSA-N
MW336.85 g/mol
LogP5.92
Rot. Bonds3

About 3-(4-chlorophenyl)-1-phenyl-5-thiophen-2-ylpyrazole

3-(4-chlorophenyl)-1-phenyl-5-thiophen-2-ylpyrazole (PubChem CID 10759352) has the molecular formula C19H13ClN2S and a molecular weight of 336.85 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-1-phenyl-5-thiophen-2-ylpyrazole.

Molecular Properties

Compound Name3-(4-chlorophenyl)-1-phenyl-5-thiophen-2-ylpyrazole
PubChem CID10759352
Molecular FormulaC19H13ClN2S
Molecular Weight336.85 g/mol
Exact Mass336.05
IUPAC Name3-(4-chlorophenyl)-1-phenyl-5-thiophen-2-ylpyrazole
SMILESClc1ccc(-c2cc(-c3cccs3)n(-c3ccccc3)n2)cc1
InChIInChI=1S/C19H13ClN2S/c20-15-10-8-14(9-11-15)17-13-18(19-7-4-12-23-19)22(21-17)16-5-2-1-3-6-16/h1-13H
InChIKeyYDLIWKIMMUIQOV-UHFFFAOYSA-N
XLogP5.92
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.85
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[5-(4-Chloro-phenyl)-3-(5-chloro-thiophen-2-yl)-pyrazol-1-yl]-benzenesulfonamide
CID 9933456
1-(2-Chlorophenyl)-5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]-3-(trifluoromethyl)pyrazole
CID 59632482
5-(4-Chlorophenyl)-1,3-diphenylpyrazole
CID 280869
5-(2,5-dichloro-3-thienyl)-1-(4-fluorophenyl)-1H-pyrazole
CID 1477321
1-(4-chlorophenyl)-5-(2,5-dichloro-3-thienyl)-1H-pyrazole
CID 1477325
5-(2,5-dichloro-3-thienyl)-1-(4-methylphenyl)-1H-pyrazole
CID 1488800
2-[[1,5-Bis(4-chlorophenyl)pyrazol-3-yl]methyl]-1-thiophen-2-ylsulfonylguanidine
CID 140316438
1H-Pyrrole, 1-(4-chlorophenyl)-2-(4-methyl-2-thienyl)-5-phenyl-
CID 3021805
1-(4-Methylphenyl)-5-thiophen-2-yl-3-(trifluoromethyl)pyrazole
CID 2812745
4-(4-Chlorophenyl)-2-[5-(4-chlorophenyl)-1-(4-fluorophenyl)pyrazol-3-yl]thiazole
CID 45277096
2-[[3,5-Bis(4-chlorophenyl)-1-phenylpyrazol-4-yl]sulfonylmethyl]-4,5-dihydro-1,3-thiazole
CID 56641105
1-[(2-Fluorophenyl)methyl]-5-phenyl-3-thiophen-2-ylpyrazole
CID 177650909

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-1-phenyl-5-thiophen-2-ylpyrazole?
The IUPAC name of 3-(4-chlorophenyl)-1-phenyl-5-thiophen-2-ylpyrazole (CID 10759352) is 3-(4-chlorophenyl)-1-phenyl-5-thiophen-2-ylpyrazole.
What is the SMILES notation for 3-(4-chlorophenyl)-1-phenyl-5-thiophen-2-ylpyrazole?
The canonical SMILES for 3-(4-chlorophenyl)-1-phenyl-5-thiophen-2-ylpyrazole is Clc1ccc(-c2cc(-c3cccs3)n(-c3ccccc3)n2)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-1-phenyl-5-thiophen-2-ylpyrazole?
The InChIKey is YDLIWKIMMUIQOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClN2S/c20-15-10-8-14(9-11-15)17-13-18(19-7-4-12-23-19)22(21-17)16-5-2-1-3-6-16/h1-13H.
What are the key properties of 3-(4-chlorophenyl)-1-phenyl-5-thiophen-2-ylpyrazole?
3-(4-chlorophenyl)-1-phenyl-5-thiophen-2-ylpyrazole has a molecular weight of 336.85 g/mol, XLogP of 5.92, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-1-phenyl-5-thiophen-2-ylpyrazole is sourced from PubChem (CID 10759352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).