5-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]amino]-2-methylbenzoic acid

C15H17N3O3 — CID 63654718

IUPAC5-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]amino]-2-methylbenzoic acid
SMILESCc1ccc(NC(=O)Cc2c(C)n[nH]c2C)cc1C(=O)O
InChIInChI=1S/C15H17N3O3/c1-8-4-5-11(6-12(8)15(20)21)16-14(19)7-13-9(2)17-18-10(13)3/h4-6H,7H2,1-3H3,(H,16,19)(H,17,18)(H,20,21)
InChIKeyJKGYADWAIXGLSC-UHFFFAOYSA-N
MW287.32 g/mol
LogP2.21
Rot. Bonds4

About 5-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]amino]-2-methylbenzoic acid

5-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]amino]-2-methylbenzoic acid (PubChem CID 63654718) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 5-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]amino]-2-methylbenzoic acid.

Molecular Properties

Compound Name5-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]amino]-2-methylbenzoic acid
PubChem CID63654718
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name5-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]amino]-2-methylbenzoic acid
SMILESCc1ccc(NC(=O)Cc2c(C)n[nH]c2C)cc1C(=O)O
InChIInChI=1S/C15H17N3O3/c1-8-4-5-11(6-12(8)15(20)21)16-14(19)7-13-9(2)17-18-10(13)3/h4-6H,7H2,1-3H3,(H,16,19)(H,17,18)(H,20,21)
InChIKeyJKGYADWAIXGLSC-UHFFFAOYSA-N
XLogP2.21
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-5-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]amino]benzoic acid
CID 115295595
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(4-phenylphenyl)acetamide
CID 9319157
2-methyl-5-[(2-phenylacetyl)amino]benzoic acid
CID 63652253
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[4-(2-hydroxyethyl)phenyl]acetamide
CID 61221604
N-(4-bromo-2-methylphenyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
CID 110695334
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(4-hydroxy-2,3,5-trimethylphenyl)acetamide
CID 99829231
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(5-methyl-1H-pyrazol-3-yl)acetamide
CID 55259828
5-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]amino]-3-methylthiophene-2-carboxylic acid
CID 43356625
5-[[2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetyl]amino]-2-methylbenzoic acid
CID 119255166
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(4-fluoro-2-methylphenyl)acetamide
CID 51072997
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-propan-2-ylindazol-5-yl)acetamide
CID 100671901
5-[[2-(ethylamino)acetyl]amino]-2-methylbenzoic acid
CID 63653512

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]amino]-2-methylbenzoic acid?
The IUPAC name of 5-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]amino]-2-methylbenzoic acid (CID 63654718) is 5-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]amino]-2-methylbenzoic acid.
What is the SMILES notation for 5-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]amino]-2-methylbenzoic acid?
The canonical SMILES for 5-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]amino]-2-methylbenzoic acid is Cc1ccc(NC(=O)Cc2c(C)n[nH]c2C)cc1C(=O)O.
What is the InChIKey of 5-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]amino]-2-methylbenzoic acid?
The InChIKey is JKGYADWAIXGLSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-8-4-5-11(6-12(8)15(20)21)16-14(19)7-13-9(2)17-18-10(13)3/h4-6H,7H2,1-3H3,(H,16,19)(H,17,18)(H,20,21).
What are the key properties of 5-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]amino]-2-methylbenzoic acid?
5-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]amino]-2-methylbenzoic acid has a molecular weight of 287.32 g/mol, XLogP of 2.21, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]amino]-2-methylbenzoic acid is sourced from PubChem (CID 63654718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).