5-(3-methyl-1-benzothiophen-2-yl)-N-phenylpyrazole-1-carboxamide

C19H15N3OS — CID 2824203

IUPAC5-(3-methyl-1-benzothiophen-2-yl)-N-phenylpyrazole-1-carboxamide
SMILESCc1c(-c2ccnn2C(=O)Nc2ccccc2)sc2ccccc12
InChIInChI=1S/C19H15N3OS/c1-13-15-9-5-6-10-17(15)24-18(13)16-11-12-20-22(16)19(23)21-14-7-3-2-4-8-14/h2-12H,1H3,(H,21,23)
InChIKeyHTXMDYWIJBZZMZ-UHFFFAOYSA-N
MW333.42 g/mol
LogP5.15
Rot. Bonds2

About 5-(3-methyl-1-benzothiophen-2-yl)-N-phenylpyrazole-1-carboxamide

5-(3-methyl-1-benzothiophen-2-yl)-N-phenylpyrazole-1-carboxamide (PubChem CID 2824203) has the molecular formula C19H15N3OS and a molecular weight of 333.42 g/mol. Its IUPAC name is 5-(3-methyl-1-benzothiophen-2-yl)-N-phenylpyrazole-1-carboxamide.

Molecular Properties

Compound Name5-(3-methyl-1-benzothiophen-2-yl)-N-phenylpyrazole-1-carboxamide
PubChem CID2824203
Molecular FormulaC19H15N3OS
Molecular Weight333.42 g/mol
Exact Mass333.09
IUPAC Name5-(3-methyl-1-benzothiophen-2-yl)-N-phenylpyrazole-1-carboxamide
SMILESCc1c(-c2ccnn2C(=O)Nc2ccccc2)sc2ccccc12
InChIInChI=1S/C19H15N3OS/c1-13-15-9-5-6-10-17(15)24-18(13)16-11-12-20-22(16)19(23)21-14-7-3-2-4-8-14/h2-12H,1H3,(H,21,23)
InChIKeyHTXMDYWIJBZZMZ-UHFFFAOYSA-N
XLogP5.15
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.42
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3-methyl-1-benzothiophen-2-yl)-N-phenylpyrazole-1-carboxamide?
The IUPAC name of 5-(3-methyl-1-benzothiophen-2-yl)-N-phenylpyrazole-1-carboxamide (CID 2824203) is 5-(3-methyl-1-benzothiophen-2-yl)-N-phenylpyrazole-1-carboxamide.
What is the SMILES notation for 5-(3-methyl-1-benzothiophen-2-yl)-N-phenylpyrazole-1-carboxamide?
The canonical SMILES for 5-(3-methyl-1-benzothiophen-2-yl)-N-phenylpyrazole-1-carboxamide is Cc1c(-c2ccnn2C(=O)Nc2ccccc2)sc2ccccc12.
What is the InChIKey of 5-(3-methyl-1-benzothiophen-2-yl)-N-phenylpyrazole-1-carboxamide?
The InChIKey is HTXMDYWIJBZZMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3OS/c1-13-15-9-5-6-10-17(15)24-18(13)16-11-12-20-22(16)19(23)21-14-7-3-2-4-8-14/h2-12H,1H3,(H,21,23).
What are the key properties of 5-(3-methyl-1-benzothiophen-2-yl)-N-phenylpyrazole-1-carboxamide?
5-(3-methyl-1-benzothiophen-2-yl)-N-phenylpyrazole-1-carboxamide has a molecular weight of 333.42 g/mol, XLogP of 5.15, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methyl-1-benzothiophen-2-yl)-N-phenylpyrazole-1-carboxamide is sourced from PubChem (CID 2824203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).