3-[[2-(2,5-dimethylphenyl)sulfanylacetyl]amino]-1H-pyrazole-5-carboxylic acid

C14H15N3O3S — CID 64523902

IUPAC3-[[2-(2,5-dimethylphenyl)sulfanylacetyl]amino]-1H-pyrazole-5-carboxylic acid
SMILESCc1ccc(C)c(SCC(=O)Nc2cc(C(=O)O)[nH]n2)c1
InChIInChI=1S/C14H15N3O3S/c1-8-3-4-9(2)11(5-8)21-7-13(18)15-12-6-10(14(19)20)16-17-12/h3-6H,7H2,1-2H3,(H,19,20)(H2,15,16,17,18)
InChIKeyRHWQILFZSSIGDX-UHFFFAOYSA-N
MW305.36 g/mol
LogP2.46
Rot. Bonds5

About 3-[[2-(2,5-dimethylphenyl)sulfanylacetyl]amino]-1H-pyrazole-5-carboxylic acid

3-[[2-(2,5-dimethylphenyl)sulfanylacetyl]amino]-1H-pyrazole-5-carboxylic acid (PubChem CID 64523902) has the molecular formula C14H15N3O3S and a molecular weight of 305.36 g/mol. Its IUPAC name is 3-[[2-(2,5-dimethylphenyl)sulfanylacetyl]amino]-1H-pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-[[2-(2,5-dimethylphenyl)sulfanylacetyl]amino]-1H-pyrazole-5-carboxylic acid
PubChem CID64523902
Molecular FormulaC14H15N3O3S
Molecular Weight305.36 g/mol
Exact Mass305.08
IUPAC Name3-[[2-(2,5-dimethylphenyl)sulfanylacetyl]amino]-1H-pyrazole-5-carboxylic acid
SMILESCc1ccc(C)c(SCC(=O)Nc2cc(C(=O)O)[nH]n2)c1
InChIInChI=1S/C14H15N3O3S/c1-8-3-4-9(2)11(5-8)21-7-13(18)15-12-6-10(14(19)20)16-17-12/h3-6H,7H2,1-2H3,(H,19,20)(H2,15,16,17,18)
InChIKeyRHWQILFZSSIGDX-UHFFFAOYSA-N
XLogP2.46
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-[[2-(2,5-dimethylphenyl)sulfanylacetyl]amino]-1H-pyrazole-5-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[[2-(2,5-dimethylphenyl)sulfanylacetyl]amino]thiophene-2-carboxylic acid
CID 43474487
N-(5-chloro-2-pyridinyl)-2-(2,5-dimethylphenyl)sulfanylacetamide
CID 2121854
N-(2,4-dimethylphenyl)-2-(2,5-dimethylphenyl)sulfanylacetamide
CID 24679630
N-(3,5-dimethoxyphenyl)-2-(2,5-dimethylphenyl)sulfanylacetamide
CID 2708614
3-[[2-(2-methylphenyl)acetyl]amino]-1H-pyrazole-5-carboxylic acid
CID 64528831
N-(2,6-difluorophenyl)-2-(2,5-dimethylphenyl)sulfanylacetamide
CID 2616259
2-(2,5-dimethylphenyl)sulfanyl-N-(2-fluorophenyl)acetamide
CID 2616290
2-[[2-[[2-(2,5-dimethylphenyl)sulfanylacetyl]amino]acetyl]amino]acetic acid
CID 43387450
2-[[2-(2,5-dimethylphenyl)sulfanylacetyl]amino]butanoic acid
CID 43387165
N-(2-chlorophenyl)-2-(2,5-dimethylphenyl)sulfanylacetamide
CID 2616242
3-[[2-(2-phenylethylsulfanyl)acetyl]amino]-1H-pyrazole-5-carboxylic acid
CID 64528841
2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)acetamide
CID 60519002

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2,5-dimethylphenyl)sulfanylacetyl]amino]-1H-pyrazole-5-carboxylic acid?
The IUPAC name of 3-[[2-(2,5-dimethylphenyl)sulfanylacetyl]amino]-1H-pyrazole-5-carboxylic acid (CID 64523902) is 3-[[2-(2,5-dimethylphenyl)sulfanylacetyl]amino]-1H-pyrazole-5-carboxylic acid.
What is the SMILES notation for 3-[[2-(2,5-dimethylphenyl)sulfanylacetyl]amino]-1H-pyrazole-5-carboxylic acid?
The canonical SMILES for 3-[[2-(2,5-dimethylphenyl)sulfanylacetyl]amino]-1H-pyrazole-5-carboxylic acid is Cc1ccc(C)c(SCC(=O)Nc2cc(C(=O)O)[nH]n2)c1.
What is the InChIKey of 3-[[2-(2,5-dimethylphenyl)sulfanylacetyl]amino]-1H-pyrazole-5-carboxylic acid?
The InChIKey is RHWQILFZSSIGDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3S/c1-8-3-4-9(2)11(5-8)21-7-13(18)15-12-6-10(14(19)20)16-17-12/h3-6H,7H2,1-2H3,(H,19,20)(H2,15,16,17,18).
What are the key properties of 3-[[2-(2,5-dimethylphenyl)sulfanylacetyl]amino]-1H-pyrazole-5-carboxylic acid?
3-[[2-(2,5-dimethylphenyl)sulfanylacetyl]amino]-1H-pyrazole-5-carboxylic acid has a molecular weight of 305.36 g/mol, XLogP of 2.46, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2,5-dimethylphenyl)sulfanylacetyl]amino]-1H-pyrazole-5-carboxylic acid is sourced from PubChem (CID 64523902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).