5-(3-chlorophenyl)-4-methyl-N-(1-methylpyrazol-3-yl)thiophene-2-carboxamide

C16H14ClN3OS — CID 98291143

IUPAC5-(3-chlorophenyl)-4-methyl-N-(1-methylpyrazol-3-yl)thiophene-2-carboxamide
SMILESCc1cc(C(=O)Nc2ccn(C)n2)sc1-c1cccc(Cl)c1
InChIInChI=1S/C16H14ClN3OS/c1-10-8-13(16(21)18-14-6-7-20(2)19-14)22-15(10)11-4-3-5-12(17)9-11/h3-9H,1-2H3,(H,18,19,21)
InChIKeyJMZAUAFBFYBBEB-UHFFFAOYSA-N
MW331.83 g/mol
LogP4.36
Rot. Bonds3

About 5-(3-chlorophenyl)-4-methyl-N-(1-methylpyrazol-3-yl)thiophene-2-carboxamide

5-(3-chlorophenyl)-4-methyl-N-(1-methylpyrazol-3-yl)thiophene-2-carboxamide (PubChem CID 98291143) has the molecular formula C16H14ClN3OS and a molecular weight of 331.83 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-4-methyl-N-(1-methylpyrazol-3-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(3-chlorophenyl)-4-methyl-N-(1-methylpyrazol-3-yl)thiophene-2-carboxamide
PubChem CID98291143
Molecular FormulaC16H14ClN3OS
Molecular Weight331.83 g/mol
Exact Mass331.05
IUPAC Name5-(3-chlorophenyl)-4-methyl-N-(1-methylpyrazol-3-yl)thiophene-2-carboxamide
SMILESCc1cc(C(=O)Nc2ccn(C)n2)sc1-c1cccc(Cl)c1
InChIInChI=1S/C16H14ClN3OS/c1-10-8-13(16(21)18-14-6-7-20(2)19-14)22-15(10)11-4-3-5-12(17)9-11/h3-9H,1-2H3,(H,18,19,21)
InChIKeyJMZAUAFBFYBBEB-UHFFFAOYSA-N
XLogP4.36
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.83
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)-4-methyl-N-(1-methylpyrazol-3-yl)thiophene-2-carboxamide?
The IUPAC name of 5-(3-chlorophenyl)-4-methyl-N-(1-methylpyrazol-3-yl)thiophene-2-carboxamide (CID 98291143) is 5-(3-chlorophenyl)-4-methyl-N-(1-methylpyrazol-3-yl)thiophene-2-carboxamide.
What is the SMILES notation for 5-(3-chlorophenyl)-4-methyl-N-(1-methylpyrazol-3-yl)thiophene-2-carboxamide?
The canonical SMILES for 5-(3-chlorophenyl)-4-methyl-N-(1-methylpyrazol-3-yl)thiophene-2-carboxamide is Cc1cc(C(=O)Nc2ccn(C)n2)sc1-c1cccc(Cl)c1.
What is the InChIKey of 5-(3-chlorophenyl)-4-methyl-N-(1-methylpyrazol-3-yl)thiophene-2-carboxamide?
The InChIKey is JMZAUAFBFYBBEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3OS/c1-10-8-13(16(21)18-14-6-7-20(2)19-14)22-15(10)11-4-3-5-12(17)9-11/h3-9H,1-2H3,(H,18,19,21).
What are the key properties of 5-(3-chlorophenyl)-4-methyl-N-(1-methylpyrazol-3-yl)thiophene-2-carboxamide?
5-(3-chlorophenyl)-4-methyl-N-(1-methylpyrazol-3-yl)thiophene-2-carboxamide has a molecular weight of 331.83 g/mol, XLogP of 4.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenyl)-4-methyl-N-(1-methylpyrazol-3-yl)thiophene-2-carboxamide is sourced from PubChem (CID 98291143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).