N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-3-methylthiophene-2-carboxamide

C16H14ClN3OS — CID 2352148

IUPACN-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-3-methylthiophene-2-carboxamide
SMILESCc1cc(NC(=O)c2sccc2C)n(-c2cccc(Cl)c2)n1
InChIInChI=1S/C16H14ClN3OS/c1-10-6-7-22-15(10)16(21)18-14-8-11(2)19-20(14)13-5-3-4-12(17)9-13/h3-9H,1-2H3,(H,18,21)
InChIKeyOFHGMGJCGZLUNK-UHFFFAOYSA-N
MW331.83 g/mol
LogP4.46
Rot. Bonds3

About N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-3-methylthiophene-2-carboxamide

N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-3-methylthiophene-2-carboxamide (PubChem CID 2352148) has the molecular formula C16H14ClN3OS and a molecular weight of 331.83 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-3-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-3-methylthiophene-2-carboxamide
PubChem CID2352148
Molecular FormulaC16H14ClN3OS
Molecular Weight331.83 g/mol
Exact Mass331.05
IUPAC NameN-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-3-methylthiophene-2-carboxamide
SMILESCc1cc(NC(=O)c2sccc2C)n(-c2cccc(Cl)c2)n1
InChIInChI=1S/C16H14ClN3OS/c1-10-6-7-22-15(10)16(21)18-14-8-11(2)19-20(14)13-5-3-4-12(17)9-13/h3-9H,1-2H3,(H,18,21)
InChIKeyOFHGMGJCGZLUNK-UHFFFAOYSA-N
XLogP4.46
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 ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-3-methylthiophene-2-carboxamide?
The IUPAC name of N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-3-methylthiophene-2-carboxamide (CID 2352148) is N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-3-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-3-methylthiophene-2-carboxamide?
The canonical SMILES for N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-3-methylthiophene-2-carboxamide is Cc1cc(NC(=O)c2sccc2C)n(-c2cccc(Cl)c2)n1.
What is the InChIKey of N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-3-methylthiophene-2-carboxamide?
The InChIKey is OFHGMGJCGZLUNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3OS/c1-10-6-7-22-15(10)16(21)18-14-8-11(2)19-20(14)13-5-3-4-12(17)9-13/h3-9H,1-2H3,(H,18,21).
What are the key properties of N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-3-methylthiophene-2-carboxamide?
N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-3-methylthiophene-2-carboxamide has a molecular weight of 331.83 g/mol, XLogP of 4.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-3-methylthiophene-2-carboxamide is sourced from PubChem (CID 2352148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).