1-methyl-N-(4-methylphenyl)-3-thiophen-2-ylpyrazole-5-carboxamide

C16H15N3OS — CID 812762

IUPAC1-methyl-N-(4-methylphenyl)-3-thiophen-2-ylpyrazole-5-carboxamide
SMILESCc1ccc(NC(=O)c2cc(-c3cccs3)nn2C)cc1
InChIInChI=1S/C16H15N3OS/c1-11-5-7-12(8-6-11)17-16(20)14-10-13(18-19(14)2)15-4-3-9-21-15/h3-10H,1-2H3,(H,17,20)
InChIKeyFCXGIQJVAVCZOG-UHFFFAOYSA-N
MW297.38 g/mol
LogP3.71
Rot. Bonds3

About 1-methyl-N-(4-methylphenyl)-3-thiophen-2-ylpyrazole-5-carboxamide

1-methyl-N-(4-methylphenyl)-3-thiophen-2-ylpyrazole-5-carboxamide (PubChem CID 812762) has the molecular formula C16H15N3OS and a molecular weight of 297.38 g/mol. Its IUPAC name is 1-methyl-N-(4-methylphenyl)-3-thiophen-2-ylpyrazole-5-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(4-methylphenyl)-3-thiophen-2-ylpyrazole-5-carboxamide
PubChem CID812762
Molecular FormulaC16H15N3OS
Molecular Weight297.38 g/mol
Exact Mass297.09
IUPAC Name1-methyl-N-(4-methylphenyl)-3-thiophen-2-ylpyrazole-5-carboxamide
SMILESCc1ccc(NC(=O)c2cc(-c3cccs3)nn2C)cc1
InChIInChI=1S/C16H15N3OS/c1-11-5-7-12(8-6-11)17-16(20)14-10-13(18-19(14)2)15-4-3-9-21-15/h3-10H,1-2H3,(H,17,20)
InChIKeyFCXGIQJVAVCZOG-UHFFFAOYSA-N
XLogP3.71
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 ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)-3-thiophen-2-ylpyrazole-5-carboxamide
CID 86207596
N-[4-[[4-(diethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-1-methyl-3-thiophen-2-ylpyrazole-5-carboxamide
CID 122288428
3-methyl-N-[4-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)phenyl]thiophene-2-carboxamide
CID 54596542
1-methyl-N-[4-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]-3-thiophen-2-ylpyrazole-5-carboxamide
CID 131928452
1-methyl-N-[4-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]-3-thiophen-2-ylpyrazole-5-carboxamide
CID 122295961
N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-1-methyl-3-thiophen-2-ylpyrazole-5-carboxamide
CID 122303083
1-methyl-N-[4-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]-3-thiophen-2-ylpyrazole-5-carboxamide
CID 122290696
1-methyl-N-[2-(1-methyl-6-oxopyridazin-3-yl)phenyl]-3-thiophen-2-ylpyrazole-5-carboxamide
CID 71805067
1-methyl-3-N,5-N-bis(4-methylphenyl)pyrazole-3,5-dicarboxamide
CID 679026
N-cyclohexyl-1-methyl-3-thiophen-2-ylpyrazole-5-carboxamide
CID 42762130
N-(4-methoxyphenyl)-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide
CID 7899964
N-(3,3-diphenylpropyl)-1-methyl-3-thiophen-2-ylpyrazole-5-carboxamide
CID 4274947

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(4-methylphenyl)-3-thiophen-2-ylpyrazole-5-carboxamide?
The IUPAC name of 1-methyl-N-(4-methylphenyl)-3-thiophen-2-ylpyrazole-5-carboxamide (CID 812762) is 1-methyl-N-(4-methylphenyl)-3-thiophen-2-ylpyrazole-5-carboxamide.
What is the SMILES notation for 1-methyl-N-(4-methylphenyl)-3-thiophen-2-ylpyrazole-5-carboxamide?
The canonical SMILES for 1-methyl-N-(4-methylphenyl)-3-thiophen-2-ylpyrazole-5-carboxamide is Cc1ccc(NC(=O)c2cc(-c3cccs3)nn2C)cc1.
What is the InChIKey of 1-methyl-N-(4-methylphenyl)-3-thiophen-2-ylpyrazole-5-carboxamide?
The InChIKey is FCXGIQJVAVCZOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3OS/c1-11-5-7-12(8-6-11)17-16(20)14-10-13(18-19(14)2)15-4-3-9-21-15/h3-10H,1-2H3,(H,17,20).
What are the key properties of 1-methyl-N-(4-methylphenyl)-3-thiophen-2-ylpyrazole-5-carboxamide?
1-methyl-N-(4-methylphenyl)-3-thiophen-2-ylpyrazole-5-carboxamide has a molecular weight of 297.38 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(4-methylphenyl)-3-thiophen-2-ylpyrazole-5-carboxamide is sourced from PubChem (CID 812762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).