3-methyl-N-[4-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)phenyl]thiophene-2-carboxamide

C20H17N3OS2 — CID 54596542

IUPAC3-methyl-N-[4-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)phenyl]thiophene-2-carboxamide
SMILESCc1ccsc1C(=O)Nc1ccc(-c2cc(-c3cccs3)nn2C)cc1
InChIInChI=1S/C20H17N3OS2/c1-13-9-11-26-19(13)20(24)21-15-7-5-14(6-8-15)17-12-16(22-23(17)2)18-4-3-10-25-18/h3-12H,1-2H3,(H,21,24)
InChIKeyNVPXMLCNVBKCRA-UHFFFAOYSA-N
MW379.51 g/mol
LogP5.44
Rot. Bonds4

About 3-methyl-N-[4-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)phenyl]thiophene-2-carboxamide

3-methyl-N-[4-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)phenyl]thiophene-2-carboxamide (PubChem CID 54596542) has the molecular formula C20H17N3OS2 and a molecular weight of 379.51 g/mol. Its IUPAC name is 3-methyl-N-[4-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[4-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)phenyl]thiophene-2-carboxamide
PubChem CID54596542
Molecular FormulaC20H17N3OS2
Molecular Weight379.51 g/mol
Exact Mass379.08
IUPAC Name3-methyl-N-[4-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)phenyl]thiophene-2-carboxamide
SMILESCc1ccsc1C(=O)Nc1ccc(-c2cc(-c3cccs3)nn2C)cc1
InChIInChI=1S/C20H17N3OS2/c1-13-9-11-26-19(13)20(24)21-15-7-5-14(6-8-15)17-12-16(22-23(17)2)18-4-3-10-25-18/h3-12H,1-2H3,(H,21,24)
InChIKeyNVPXMLCNVBKCRA-UHFFFAOYSA-N
XLogP5.44
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.51
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[3-(furan-2-yl)-1-methylpyrazol-5-yl]phenyl]-3-methylthiophene-2-carboxamide
CID 54596603
1-methyl-N-(4-methylphenyl)-3-thiophen-2-ylpyrazole-5-carboxamide
CID 812762
5-(4-chlorophenyl)-1-methyl-3-thiophen-2-ylpyrazole
CID 57160963
N-(4-chlorophenyl)-3-methylthiophene-2-carboxamide
CID 26087540
3-methyl-N-pyridin-4-ylthiophene-2-carboxamide
CID 30388319
1-methyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)-3-thiophen-2-ylpyrazole-5-carboxamide
CID 86207596
N-(4-hydroxyphenyl)-3-methylthiophene-2-carboxamide
CID 28739515
N-(4-iodophenyl)-3-methylthiophene-2-carboxamide
CID 7927248
N-[4-[[4-(diethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-1-methyl-3-thiophen-2-ylpyrazole-5-carboxamide
CID 122288428
3-methyl-N-(1-methylbenzimidazol-5-yl)thiophene-2-carboxamide
CID 112527462
1,5-dimethyl-3-thiophen-2-ylpyrazole
CID 59635615
N-(3-bromophenyl)-3-methylthiophene-2-carboxamide
CID 3480316

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[4-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)phenyl]thiophene-2-carboxamide?
The IUPAC name of 3-methyl-N-[4-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)phenyl]thiophene-2-carboxamide (CID 54596542) is 3-methyl-N-[4-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for 3-methyl-N-[4-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)phenyl]thiophene-2-carboxamide?
The canonical SMILES for 3-methyl-N-[4-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)phenyl]thiophene-2-carboxamide is Cc1ccsc1C(=O)Nc1ccc(-c2cc(-c3cccs3)nn2C)cc1.
What is the InChIKey of 3-methyl-N-[4-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)phenyl]thiophene-2-carboxamide?
The InChIKey is NVPXMLCNVBKCRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3OS2/c1-13-9-11-26-19(13)20(24)21-15-7-5-14(6-8-15)17-12-16(22-23(17)2)18-4-3-10-25-18/h3-12H,1-2H3,(H,21,24).
What are the key properties of 3-methyl-N-[4-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)phenyl]thiophene-2-carboxamide?
3-methyl-N-[4-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)phenyl]thiophene-2-carboxamide has a molecular weight of 379.51 g/mol, XLogP of 5.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[4-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 54596542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).