5-methyl-N-(5-methyl-2-phenylpyrazol-3-yl)thiophene-2-carboxamide

C16H15N3OS — CID 2123569

IUPAC5-methyl-N-(5-methyl-2-phenylpyrazol-3-yl)thiophene-2-carboxamide
SMILESCc1cc(NC(=O)c2ccc(C)s2)n(-c2ccccc2)n1
InChIInChI=1S/C16H15N3OS/c1-11-10-15(17-16(20)14-9-8-12(2)21-14)19(18-11)13-6-4-3-5-7-13/h3-10H,1-2H3,(H,17,20)
InChIKeyPCRQUINVCSTQAX-UHFFFAOYSA-N
MW297.38 g/mol
LogP3.80
Rot. Bonds3

About 5-methyl-N-(5-methyl-2-phenylpyrazol-3-yl)thiophene-2-carboxamide

5-methyl-N-(5-methyl-2-phenylpyrazol-3-yl)thiophene-2-carboxamide (PubChem CID 2123569) has the molecular formula C16H15N3OS and a molecular weight of 297.38 g/mol. Its IUPAC name is 5-methyl-N-(5-methyl-2-phenylpyrazol-3-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(5-methyl-2-phenylpyrazol-3-yl)thiophene-2-carboxamide
PubChem CID2123569
Molecular FormulaC16H15N3OS
Molecular Weight297.38 g/mol
Exact Mass297.09
IUPAC Name5-methyl-N-(5-methyl-2-phenylpyrazol-3-yl)thiophene-2-carboxamide
SMILESCc1cc(NC(=O)c2ccc(C)s2)n(-c2ccccc2)n1
InChIInChI=1S/C16H15N3OS/c1-11-10-15(17-16(20)14-9-8-12(2)21-14)19(18-11)13-6-4-3-5-7-13/h3-10H,1-2H3,(H,17,20)
InChIKeyPCRQUINVCSTQAX-UHFFFAOYSA-N
XLogP3.80
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(5-methyl-2-phenylpyrazol-3-yl)thiophene-2-carboxamide?
The IUPAC name of 5-methyl-N-(5-methyl-2-phenylpyrazol-3-yl)thiophene-2-carboxamide (CID 2123569) is 5-methyl-N-(5-methyl-2-phenylpyrazol-3-yl)thiophene-2-carboxamide.
What is the SMILES notation for 5-methyl-N-(5-methyl-2-phenylpyrazol-3-yl)thiophene-2-carboxamide?
The canonical SMILES for 5-methyl-N-(5-methyl-2-phenylpyrazol-3-yl)thiophene-2-carboxamide is Cc1cc(NC(=O)c2ccc(C)s2)n(-c2ccccc2)n1.
What is the InChIKey of 5-methyl-N-(5-methyl-2-phenylpyrazol-3-yl)thiophene-2-carboxamide?
The InChIKey is PCRQUINVCSTQAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3OS/c1-11-10-15(17-16(20)14-9-8-12(2)21-14)19(18-11)13-6-4-3-5-7-13/h3-10H,1-2H3,(H,17,20).
What are the key properties of 5-methyl-N-(5-methyl-2-phenylpyrazol-3-yl)thiophene-2-carboxamide?
5-methyl-N-(5-methyl-2-phenylpyrazol-3-yl)thiophene-2-carboxamide has a molecular weight of 297.38 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(5-methyl-2-phenylpyrazol-3-yl)thiophene-2-carboxamide is sourced from PubChem (CID 2123569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).