4-(4-chlorophenyl)-5-(5-methylthiophen-2-yl)-1-phenylpyrazole

C20H15ClN2S — CID 135066068

IUPAC4-(4-chlorophenyl)-5-(5-methylthiophen-2-yl)-1-phenylpyrazole
SMILESCc1ccc(-c2c(-c3ccc(Cl)cc3)cnn2-c2ccccc2)s1
InChIInChI=1S/C20H15ClN2S/c1-14-7-12-19(24-14)20-18(15-8-10-16(21)11-9-15)13-22-23(20)17-5-3-2-4-6-17/h2-13H,1H3
InChIKeyORSICFUXAAZZAN-UHFFFAOYSA-N
MW350.87 g/mol
LogP6.23
Rot. Bonds3

About 4-(4-chlorophenyl)-5-(5-methylthiophen-2-yl)-1-phenylpyrazole

4-(4-chlorophenyl)-5-(5-methylthiophen-2-yl)-1-phenylpyrazole (PubChem CID 135066068) has the molecular formula C20H15ClN2S and a molecular weight of 350.87 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-5-(5-methylthiophen-2-yl)-1-phenylpyrazole.

Molecular Properties

Compound Name4-(4-chlorophenyl)-5-(5-methylthiophen-2-yl)-1-phenylpyrazole
PubChem CID135066068
Molecular FormulaC20H15ClN2S
Molecular Weight350.87 g/mol
Exact Mass350.06
IUPAC Name4-(4-chlorophenyl)-5-(5-methylthiophen-2-yl)-1-phenylpyrazole
SMILESCc1ccc(-c2c(-c3ccc(Cl)cc3)cnn2-c2ccccc2)s1
InChIInChI=1S/C20H15ClN2S/c1-14-7-12-19(24-14)20-18(15-8-10-16(21)11-9-15)13-22-23(20)17-5-3-2-4-6-17/h2-13H,1H3
InChIKeyORSICFUXAAZZAN-UHFFFAOYSA-N
XLogP6.23
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.87
LogP ≤ 56.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-5-(5-methylthiophen-2-yl)-1-phenylpyrazole?
The IUPAC name of 4-(4-chlorophenyl)-5-(5-methylthiophen-2-yl)-1-phenylpyrazole (CID 135066068) is 4-(4-chlorophenyl)-5-(5-methylthiophen-2-yl)-1-phenylpyrazole.
What is the SMILES notation for 4-(4-chlorophenyl)-5-(5-methylthiophen-2-yl)-1-phenylpyrazole?
The canonical SMILES for 4-(4-chlorophenyl)-5-(5-methylthiophen-2-yl)-1-phenylpyrazole is Cc1ccc(-c2c(-c3ccc(Cl)cc3)cnn2-c2ccccc2)s1.
What is the InChIKey of 4-(4-chlorophenyl)-5-(5-methylthiophen-2-yl)-1-phenylpyrazole?
The InChIKey is ORSICFUXAAZZAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN2S/c1-14-7-12-19(24-14)20-18(15-8-10-16(21)11-9-15)13-22-23(20)17-5-3-2-4-6-17/h2-13H,1H3.
What are the key properties of 4-(4-chlorophenyl)-5-(5-methylthiophen-2-yl)-1-phenylpyrazole?
4-(4-chlorophenyl)-5-(5-methylthiophen-2-yl)-1-phenylpyrazole has a molecular weight of 350.87 g/mol, XLogP of 6.23, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-5-(5-methylthiophen-2-yl)-1-phenylpyrazole is sourced from PubChem (CID 135066068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).