3-[(1-ethyl-3,5-dimethylpyrazole-4-carbonyl)amino]-4-methylbenzoic acid

C16H19N3O3 — CID 119219348

IUPAC3-[(1-ethyl-3,5-dimethylpyrazole-4-carbonyl)amino]-4-methylbenzoic acid
SMILESCCn1nc(C)c(C(=O)Nc2cc(C(=O)O)ccc2C)c1C
InChIInChI=1S/C16H19N3O3/c1-5-19-11(4)14(10(3)18-19)15(20)17-13-8-12(16(21)22)7-6-9(13)2/h6-8H,5H2,1-4H3,(H,17,20)(H,21,22)
InChIKeyIRAGEIGYMXEWHC-UHFFFAOYSA-N
MW301.35 g/mol
LogP2.78
Rot. Bonds4

About 3-[(1-ethyl-3,5-dimethylpyrazole-4-carbonyl)amino]-4-methylbenzoic acid

3-[(1-ethyl-3,5-dimethylpyrazole-4-carbonyl)amino]-4-methylbenzoic acid (PubChem CID 119219348) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is 3-[(1-ethyl-3,5-dimethylpyrazole-4-carbonyl)amino]-4-methylbenzoic acid.

Molecular Properties

Compound Name3-[(1-ethyl-3,5-dimethylpyrazole-4-carbonyl)amino]-4-methylbenzoic acid
PubChem CID119219348
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name3-[(1-ethyl-3,5-dimethylpyrazole-4-carbonyl)amino]-4-methylbenzoic acid
SMILESCCn1nc(C)c(C(=O)Nc2cc(C(=O)O)ccc2C)c1C
InChIInChI=1S/C16H19N3O3/c1-5-19-11(4)14(10(3)18-19)15(20)17-13-8-12(16(21)22)7-6-9(13)2/h6-8H,5H2,1-4H3,(H,17,20)(H,21,22)
InChIKeyIRAGEIGYMXEWHC-UHFFFAOYSA-N
XLogP2.78
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-3-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]benzoic acid
CID 28742531
N-[4-(difluoromethoxy)-2-methylphenyl]-1-ethyl-3,5-dimethylpyrazole-4-carboxamide
CID 19472160
4-methyl-3-(propanoylamino)benzoic acid
CID 888092
5-chloro-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide
CID 55783366
3-[(2,6-dimethoxybenzoyl)amino]-4-methylbenzoic acid
CID 769955
1-ethyl-3,5-dimethyl-N-propylpyrazole-4-carboxamide
CID 19472103
1-ethyl-3,5-dimethyl-N-[1-methyl-3-(methylcarbamoyl)pyrazol-4-yl]pyrazole-4-carboxamide
CID 19472242
N-(2,6-dibromo-4-fluorophenyl)-1-ethyl-3,5-dimethylpyrazole-4-carboxamide
CID 35335727
3-[(2-tert-butyl-4-methyl-6-oxo-1H-pyrimidine-5-carbonyl)amino]-4-methylbenzoic acid
CID 137147737
3-[(5-carboxy-2-methylphenyl)carbamoyl]pyrazine-2-carboxylic acid
CID 53271000
4-methyl-3-(1H-pyrazole-4-carbonylamino)benzoic acid
CID 43565594
3-[[4-(bromomethyl)benzoyl]amino]-4-methylbenzoic acid
CID 102851169

Frequently Asked Questions

What is the IUPAC name of 3-[(1-ethyl-3,5-dimethylpyrazole-4-carbonyl)amino]-4-methylbenzoic acid?
The IUPAC name of 3-[(1-ethyl-3,5-dimethylpyrazole-4-carbonyl)amino]-4-methylbenzoic acid (CID 119219348) is 3-[(1-ethyl-3,5-dimethylpyrazole-4-carbonyl)amino]-4-methylbenzoic acid.
What is the SMILES notation for 3-[(1-ethyl-3,5-dimethylpyrazole-4-carbonyl)amino]-4-methylbenzoic acid?
The canonical SMILES for 3-[(1-ethyl-3,5-dimethylpyrazole-4-carbonyl)amino]-4-methylbenzoic acid is CCn1nc(C)c(C(=O)Nc2cc(C(=O)O)ccc2C)c1C.
What is the InChIKey of 3-[(1-ethyl-3,5-dimethylpyrazole-4-carbonyl)amino]-4-methylbenzoic acid?
The InChIKey is IRAGEIGYMXEWHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-5-19-11(4)14(10(3)18-19)15(20)17-13-8-12(16(21)22)7-6-9(13)2/h6-8H,5H2,1-4H3,(H,17,20)(H,21,22).
What are the key properties of 3-[(1-ethyl-3,5-dimethylpyrazole-4-carbonyl)amino]-4-methylbenzoic acid?
3-[(1-ethyl-3,5-dimethylpyrazole-4-carbonyl)amino]-4-methylbenzoic acid has a molecular weight of 301.35 g/mol, XLogP of 2.78, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-ethyl-3,5-dimethylpyrazole-4-carbonyl)amino]-4-methylbenzoic acid is sourced from PubChem (CID 119219348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).