N-(4-acetylphenyl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide

C21H17N3O2S — CID 1452121

IUPACN-(4-acetylphenyl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)cc1
InChIInChI=1S/C21H17N3O2S/c1-13-18-12-19(20(26)22-16-10-8-15(9-11-16)14(2)25)27-21(18)24(23-13)17-6-4-3-5-7-17/h3-12H,1-2H3,(H,22,26)
InChIKeyXYPYXVUWGXUVAG-UHFFFAOYSA-N
MW375.45 g/mol
LogP4.85
Rot. Bonds4

About N-(4-acetylphenyl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide

N-(4-acetylphenyl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide (PubChem CID 1452121) has the molecular formula C21H17N3O2S and a molecular weight of 375.45 g/mol. Its IUPAC name is N-(4-acetylphenyl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
PubChem CID1452121
Molecular FormulaC21H17N3O2S
Molecular Weight375.45 g/mol
Exact Mass375.10
IUPAC NameN-(4-acetylphenyl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)cc1
InChIInChI=1S/C21H17N3O2S/c1-13-18-12-19(20(26)22-16-10-8-15(9-11-16)14(2)25)27-21(18)24(23-13)17-6-4-3-5-7-17/h3-12H,1-2H3,(H,22,26)
InChIKeyXYPYXVUWGXUVAG-UHFFFAOYSA-N
XLogP4.85
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide?
The IUPAC name of N-(4-acetylphenyl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide (CID 1452121) is N-(4-acetylphenyl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide is CC(=O)c1ccc(NC(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide?
The InChIKey is XYPYXVUWGXUVAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O2S/c1-13-18-12-19(20(26)22-16-10-8-15(9-11-16)14(2)25)27-21(18)24(23-13)17-6-4-3-5-7-17/h3-12H,1-2H3,(H,22,26).
What are the key properties of N-(4-acetylphenyl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide?
N-(4-acetylphenyl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide has a molecular weight of 375.45 g/mol, XLogP of 4.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide is sourced from PubChem (CID 1452121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).