N-[5-cyclopropyl-3-(2,4-dimethylphenyl)-1H-pyrazol-4-yl]-2-thiophen-2-ylacetamide

C20H21N3OS — CID 42686174

IUPACN-[5-cyclopropyl-3-(2,4-dimethylphenyl)-1H-pyrazol-4-yl]-2-thiophen-2-ylacetamide
SMILESCc1ccc(-c2n[nH]c(C3CC3)c2NC(=O)Cc2cccs2)c(C)c1
InChIInChI=1S/C20H21N3OS/c1-12-5-8-16(13(2)10-12)19-20(18(22-23-19)14-6-7-14)21-17(24)11-15-4-3-9-25-15/h3-5,8-10,14H,6-7,11H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyJLISNDXCLRRODG-UHFFFAOYSA-N
MW351.48 g/mol
LogP4.81
Rot. Bonds5

About N-[5-cyclopropyl-3-(2,4-dimethylphenyl)-1H-pyrazol-4-yl]-2-thiophen-2-ylacetamide

N-[5-cyclopropyl-3-(2,4-dimethylphenyl)-1H-pyrazol-4-yl]-2-thiophen-2-ylacetamide (PubChem CID 42686174) has the molecular formula C20H21N3OS and a molecular weight of 351.48 g/mol. Its IUPAC name is N-[5-cyclopropyl-3-(2,4-dimethylphenyl)-1H-pyrazol-4-yl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[5-cyclopropyl-3-(2,4-dimethylphenyl)-1H-pyrazol-4-yl]-2-thiophen-2-ylacetamide
PubChem CID42686174
Molecular FormulaC20H21N3OS
Molecular Weight351.48 g/mol
Exact Mass351.14
IUPAC NameN-[5-cyclopropyl-3-(2,4-dimethylphenyl)-1H-pyrazol-4-yl]-2-thiophen-2-ylacetamide
SMILESCc1ccc(-c2n[nH]c(C3CC3)c2NC(=O)Cc2cccs2)c(C)c1
InChIInChI=1S/C20H21N3OS/c1-12-5-8-16(13(2)10-12)19-20(18(22-23-19)14-6-7-14)21-17(24)11-15-4-3-9-25-15/h3-5,8-10,14H,6-7,11H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyJLISNDXCLRRODG-UHFFFAOYSA-N
XLogP4.81
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.48
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[5-cyclopropyl-3-(2,4-dimethylphenyl)-1H-pyrazol-4-yl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[5-cyclopropyl-3-(2,4-dimethylphenyl)-1H-pyrazol-4-yl]-2-thiophen-2-ylacetamide (CID 42686174) is N-[5-cyclopropyl-3-(2,4-dimethylphenyl)-1H-pyrazol-4-yl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[5-cyclopropyl-3-(2,4-dimethylphenyl)-1H-pyrazol-4-yl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[5-cyclopropyl-3-(2,4-dimethylphenyl)-1H-pyrazol-4-yl]-2-thiophen-2-ylacetamide is Cc1ccc(-c2n[nH]c(C3CC3)c2NC(=O)Cc2cccs2)c(C)c1.
What is the InChIKey of N-[5-cyclopropyl-3-(2,4-dimethylphenyl)-1H-pyrazol-4-yl]-2-thiophen-2-ylacetamide?
The InChIKey is JLISNDXCLRRODG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3OS/c1-12-5-8-16(13(2)10-12)19-20(18(22-23-19)14-6-7-14)21-17(24)11-15-4-3-9-25-15/h3-5,8-10,14H,6-7,11H2,1-2H3,(H,21,24)(H,22,23).
What are the key properties of N-[5-cyclopropyl-3-(2,4-dimethylphenyl)-1H-pyrazol-4-yl]-2-thiophen-2-ylacetamide?
N-[5-cyclopropyl-3-(2,4-dimethylphenyl)-1H-pyrazol-4-yl]-2-thiophen-2-ylacetamide has a molecular weight of 351.48 g/mol, XLogP of 4.81, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-cyclopropyl-3-(2,4-dimethylphenyl)-1H-pyrazol-4-yl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 42686174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).