1-phenyl-5-(5-phenylthiophen-2-yl)pyrazole

C19H14N2S — CID 59632631

IUPAC1-phenyl-5-(5-phenylthiophen-2-yl)pyrazole
SMILESc1ccc(-c2ccc(-c3ccnn3-c3ccccc3)s2)cc1
InChIInChI=1S/C19H14N2S/c1-3-7-15(8-4-1)18-11-12-19(22-18)17-13-14-20-21(17)16-9-5-2-6-10-16/h1-14H
InChIKeyUOQPVUUUUPFTLS-UHFFFAOYSA-N
MW302.40 g/mol
LogP5.27
Rot. Bonds3

About 1-phenyl-5-(5-phenylthiophen-2-yl)pyrazole

1-phenyl-5-(5-phenylthiophen-2-yl)pyrazole (PubChem CID 59632631) has the molecular formula C19H14N2S and a molecular weight of 302.40 g/mol. Its IUPAC name is 1-phenyl-5-(5-phenylthiophen-2-yl)pyrazole.

Molecular Properties

Compound Name1-phenyl-5-(5-phenylthiophen-2-yl)pyrazole
PubChem CID59632631
Molecular FormulaC19H14N2S
Molecular Weight302.40 g/mol
Exact Mass302.09
IUPAC Name1-phenyl-5-(5-phenylthiophen-2-yl)pyrazole
SMILESc1ccc(-c2ccc(-c3ccnn3-c3ccccc3)s2)cc1
InChIInChI=1S/C19H14N2S/c1-3-7-15(8-4-1)18-11-12-19(22-18)17-13-14-20-21(17)16-9-5-2-6-10-16/h1-14H
InChIKeyUOQPVUUUUPFTLS-UHFFFAOYSA-N
XLogP5.27
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.40
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-5-(5-phenylthiophen-2-yl)pyrazole?
The IUPAC name of 1-phenyl-5-(5-phenylthiophen-2-yl)pyrazole (CID 59632631) is 1-phenyl-5-(5-phenylthiophen-2-yl)pyrazole.
What is the SMILES notation for 1-phenyl-5-(5-phenylthiophen-2-yl)pyrazole?
The canonical SMILES for 1-phenyl-5-(5-phenylthiophen-2-yl)pyrazole is c1ccc(-c2ccc(-c3ccnn3-c3ccccc3)s2)cc1.
What is the InChIKey of 1-phenyl-5-(5-phenylthiophen-2-yl)pyrazole?
The InChIKey is UOQPVUUUUPFTLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2S/c1-3-7-15(8-4-1)18-11-12-19(22-18)17-13-14-20-21(17)16-9-5-2-6-10-16/h1-14H.
What are the key properties of 1-phenyl-5-(5-phenylthiophen-2-yl)pyrazole?
1-phenyl-5-(5-phenylthiophen-2-yl)pyrazole has a molecular weight of 302.40 g/mol, XLogP of 5.27, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-5-(5-phenylthiophen-2-yl)pyrazole is sourced from PubChem (CID 59632631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).