5-[(1,5-dimethylpyrazole-4-carbonyl)amino]-2,3-dimethylbenzoic acid

C15H17N3O3 — CID 63020357

IUPAC5-[(1,5-dimethylpyrazole-4-carbonyl)amino]-2,3-dimethylbenzoic acid
SMILESCc1cc(NC(=O)c2cnn(C)c2C)cc(C(=O)O)c1C
InChIInChI=1S/C15H17N3O3/c1-8-5-11(6-12(9(8)2)15(20)21)17-14(19)13-7-16-18(4)10(13)3/h5-7H,1-4H3,(H,17,19)(H,20,21)
InChIKeyRSMKWVURAZELQD-UHFFFAOYSA-N
MW287.32 g/mol
LogP2.30
Rot. Bonds3

About 5-[(1,5-dimethylpyrazole-4-carbonyl)amino]-2,3-dimethylbenzoic acid

5-[(1,5-dimethylpyrazole-4-carbonyl)amino]-2,3-dimethylbenzoic acid (PubChem CID 63020357) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 5-[(1,5-dimethylpyrazole-4-carbonyl)amino]-2,3-dimethylbenzoic acid.

Molecular Properties

Compound Name5-[(1,5-dimethylpyrazole-4-carbonyl)amino]-2,3-dimethylbenzoic acid
PubChem CID63020357
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name5-[(1,5-dimethylpyrazole-4-carbonyl)amino]-2,3-dimethylbenzoic acid
SMILESCc1cc(NC(=O)c2cnn(C)c2C)cc(C(=O)O)c1C
InChIInChI=1S/C15H17N3O3/c1-8-5-11(6-12(9(8)2)15(20)21)17-14(19)13-7-16-18(4)10(13)3/h5-7H,1-4H3,(H,17,19)(H,20,21)
InChIKeyRSMKWVURAZELQD-UHFFFAOYSA-N
XLogP2.30
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1,5-dimethyl-N-phenylpyrazole-4-carboxamide
CID 13031735
2-chloro-4-[(1,5-dimethylpyrazole-4-carbonyl)amino]benzoic acid
CID 61398585
4-[(1,5-dimethylpyrazole-4-carbonyl)amino]pyridine-2-carboxylic acid
CID 55246685
5-acetamido-2,3-dimethylbenzoic acid
CID 63020849
2-[(1,5-dimethylpyrazole-4-carbonyl)amino]-5-methoxybenzoic acid
CID 115410984
N-(4-bromo-2,6-dimethylphenyl)-1,5-dimethylpyrazole-4-carboxamide
CID 62721395
2,3-dimethyl-5-(pyridine-4-carbonylamino)benzoic acid
CID 63021015
2,3-dimethyl-5-(1,3-thiazole-5-carbonylamino)benzoic acid
CID 114030951
N-(3-aminophenyl)-1,5-dimethylpyrazole-4-carboxamide
CID 28776770
5-[(5-fluoropyridine-2-carbonyl)amino]-2,3-dimethylbenzoic acid
CID 104638237
N-(3-chloro-4-hydroxyphenyl)-1,5-dimethylpyrazole-4-carboxamide
CID 63935503
4-[(1,5-dimethylpyrazole-4-carbonyl)amino]benzenesulfonyl chloride
CID 43095846

Frequently Asked Questions

What is the IUPAC name of 5-[(1,5-dimethylpyrazole-4-carbonyl)amino]-2,3-dimethylbenzoic acid?
The IUPAC name of 5-[(1,5-dimethylpyrazole-4-carbonyl)amino]-2,3-dimethylbenzoic acid (CID 63020357) is 5-[(1,5-dimethylpyrazole-4-carbonyl)amino]-2,3-dimethylbenzoic acid.
What is the SMILES notation for 5-[(1,5-dimethylpyrazole-4-carbonyl)amino]-2,3-dimethylbenzoic acid?
The canonical SMILES for 5-[(1,5-dimethylpyrazole-4-carbonyl)amino]-2,3-dimethylbenzoic acid is Cc1cc(NC(=O)c2cnn(C)c2C)cc(C(=O)O)c1C.
What is the InChIKey of 5-[(1,5-dimethylpyrazole-4-carbonyl)amino]-2,3-dimethylbenzoic acid?
The InChIKey is RSMKWVURAZELQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-8-5-11(6-12(9(8)2)15(20)21)17-14(19)13-7-16-18(4)10(13)3/h5-7H,1-4H3,(H,17,19)(H,20,21).
What are the key properties of 5-[(1,5-dimethylpyrazole-4-carbonyl)amino]-2,3-dimethylbenzoic acid?
5-[(1,5-dimethylpyrazole-4-carbonyl)amino]-2,3-dimethylbenzoic acid has a molecular weight of 287.32 g/mol, XLogP of 2.30, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1,5-dimethylpyrazole-4-carbonyl)amino]-2,3-dimethylbenzoic acid is sourced from PubChem (CID 63020357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).