N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-thiophen-2-ylacetamide

C17H17N3OS — CID 5309163

IUPACN-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-thiophen-2-ylacetamide
SMILESCc1nn(-c2ccccc2)c(C)c1NC(=O)Cc1cccs1
InChIInChI=1S/C17H17N3OS/c1-12-17(18-16(21)11-15-9-6-10-22-15)13(2)20(19-12)14-7-4-3-5-8-14/h3-10H,11H2,1-2H3,(H,18,21)
InChIKeyBLGNYUIODLVIML-UHFFFAOYSA-N
MW311.41 g/mol
LogP3.73
Rot. Bonds4

About N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-thiophen-2-ylacetamide

N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-thiophen-2-ylacetamide (PubChem CID 5309163) has the molecular formula C17H17N3OS and a molecular weight of 311.41 g/mol. Its IUPAC name is N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-thiophen-2-ylacetamide
PubChem CID5309163
Molecular FormulaC17H17N3OS
Molecular Weight311.41 g/mol
Exact Mass311.11
IUPAC NameN-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-thiophen-2-ylacetamide
SMILESCc1nn(-c2ccccc2)c(C)c1NC(=O)Cc1cccs1
InChIInChI=1S/C17H17N3OS/c1-12-17(18-16(21)11-15-9-6-10-22-15)13(2)20(19-12)14-7-4-3-5-8-14/h3-10H,11H2,1-2H3,(H,18,21)
InChIKeyBLGNYUIODLVIML-UHFFFAOYSA-N
XLogP3.73
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-thiophen-2-ylacetamide?
The IUPAC name of N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-thiophen-2-ylacetamide (CID 5309163) is N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-thiophen-2-ylacetamide?
The canonical SMILES for N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-thiophen-2-ylacetamide is Cc1nn(-c2ccccc2)c(C)c1NC(=O)Cc1cccs1.
What is the InChIKey of N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-thiophen-2-ylacetamide?
The InChIKey is BLGNYUIODLVIML-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3OS/c1-12-17(18-16(21)11-15-9-6-10-22-15)13(2)20(19-12)14-7-4-3-5-8-14/h3-10H,11H2,1-2H3,(H,18,21).
What are the key properties of N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-thiophen-2-ylacetamide?
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-thiophen-2-ylacetamide has a molecular weight of 311.41 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-thiophen-2-ylacetamide is sourced from PubChem (CID 5309163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).