3-[(1,3-dimethylpyrazole-4-carbonyl)amino]naphthalene-2-carboxylic acid

C17H15N3O3 — CID 75513355

IUPAC3-[(1,3-dimethylpyrazole-4-carbonyl)amino]naphthalene-2-carboxylic acid
SMILESCc1nn(C)cc1C(=O)Nc1cc2ccccc2cc1C(=O)O
InChIInChI=1S/C17H15N3O3/c1-10-14(9-20(2)19-10)16(21)18-15-8-12-6-4-3-5-11(12)7-13(15)17(22)23/h3-9H,1-2H3,(H,18,21)(H,22,23)
InChIKeyZDIILKPFFCLFKY-UHFFFAOYSA-N
MW309.33 g/mol
LogP2.83
Rot. Bonds3

About 3-[(1,3-dimethylpyrazole-4-carbonyl)amino]naphthalene-2-carboxylic acid

3-[(1,3-dimethylpyrazole-4-carbonyl)amino]naphthalene-2-carboxylic acid (PubChem CID 75513355) has the molecular formula C17H15N3O3 and a molecular weight of 309.33 g/mol. Its IUPAC name is 3-[(1,3-dimethylpyrazole-4-carbonyl)amino]naphthalene-2-carboxylic acid.

Molecular Properties

Compound Name3-[(1,3-dimethylpyrazole-4-carbonyl)amino]naphthalene-2-carboxylic acid
PubChem CID75513355
Molecular FormulaC17H15N3O3
Molecular Weight309.33 g/mol
Exact Mass309.11
IUPAC Name3-[(1,3-dimethylpyrazole-4-carbonyl)amino]naphthalene-2-carboxylic acid
SMILESCc1nn(C)cc1C(=O)Nc1cc2ccccc2cc1C(=O)O
InChIInChI=1S/C17H15N3O3/c1-10-14(9-20(2)19-10)16(21)18-15-8-12-6-4-3-5-11(12)7-13(15)17(22)23/h3-9H,1-2H3,(H,18,21)(H,22,23)
InChIKeyZDIILKPFFCLFKY-UHFFFAOYSA-N
XLogP2.83
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1,3-dimethylpyrazole-4-carbonyl)amino]-5-methoxybenzoic acid
CID 102801339
N-(2-fluorophenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 45285304
3-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]naphthalene-2-carboxylic acid
CID 99644527
N-(2,5-dimethylphenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 19474851
3-[(4-methylbenzoyl)amino]naphthalene-2-carboxylic acid
CID 16773490
N-(2-ethoxyphenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 42352848
N-(4-fluoro-2-methylphenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 35523427
N-(2,4-dichlorophenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 45285316
N-(4-hydroxyphenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 45285310
1,3-dimethylpyrazole-4-carboxylic acid;ethane
CID 142969611
N-(3-tert-butylphenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 158670361
N-(4-fluorophenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 45285306

Frequently Asked Questions

What is the IUPAC name of 3-[(1,3-dimethylpyrazole-4-carbonyl)amino]naphthalene-2-carboxylic acid?
The IUPAC name of 3-[(1,3-dimethylpyrazole-4-carbonyl)amino]naphthalene-2-carboxylic acid (CID 75513355) is 3-[(1,3-dimethylpyrazole-4-carbonyl)amino]naphthalene-2-carboxylic acid.
What is the SMILES notation for 3-[(1,3-dimethylpyrazole-4-carbonyl)amino]naphthalene-2-carboxylic acid?
The canonical SMILES for 3-[(1,3-dimethylpyrazole-4-carbonyl)amino]naphthalene-2-carboxylic acid is Cc1nn(C)cc1C(=O)Nc1cc2ccccc2cc1C(=O)O.
What is the InChIKey of 3-[(1,3-dimethylpyrazole-4-carbonyl)amino]naphthalene-2-carboxylic acid?
The InChIKey is ZDIILKPFFCLFKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3/c1-10-14(9-20(2)19-10)16(21)18-15-8-12-6-4-3-5-11(12)7-13(15)17(22)23/h3-9H,1-2H3,(H,18,21)(H,22,23).
What are the key properties of 3-[(1,3-dimethylpyrazole-4-carbonyl)amino]naphthalene-2-carboxylic acid?
3-[(1,3-dimethylpyrazole-4-carbonyl)amino]naphthalene-2-carboxylic acid has a molecular weight of 309.33 g/mol, XLogP of 2.83, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1,3-dimethylpyrazole-4-carbonyl)amino]naphthalene-2-carboxylic acid is sourced from PubChem (CID 75513355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).