2-[(1,3-diethylpyrazole-5-carbonyl)amino]benzoic acid

C15H17N3O3 — CID 66121377

IUPAC2-[(1,3-diethylpyrazole-5-carbonyl)amino]benzoic acid
SMILESCCc1cc(C(=O)Nc2ccccc2C(=O)O)n(CC)n1
InChIInChI=1S/C15H17N3O3/c1-3-10-9-13(18(4-2)17-10)14(19)16-12-8-6-5-7-11(12)15(20)21/h5-9H,3-4H2,1-2H3,(H,16,19)(H,20,21)
InChIKeyNCXZIEQUCLRJHW-UHFFFAOYSA-N
MW287.32 g/mol
LogP2.42
Rot. Bonds5

About 2-[(1,3-diethylpyrazole-5-carbonyl)amino]benzoic acid

2-[(1,3-diethylpyrazole-5-carbonyl)amino]benzoic acid (PubChem CID 66121377) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 2-[(1,3-diethylpyrazole-5-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name2-[(1,3-diethylpyrazole-5-carbonyl)amino]benzoic acid
PubChem CID66121377
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name2-[(1,3-diethylpyrazole-5-carbonyl)amino]benzoic acid
SMILESCCc1cc(C(=O)Nc2ccccc2C(=O)O)n(CC)n1
InChIInChI=1S/C15H17N3O3/c1-3-10-9-13(18(4-2)17-10)14(19)16-12-8-6-5-7-11(12)15(20)21/h5-9H,3-4H2,1-2H3,(H,16,19)(H,20,21)
InChIKeyNCXZIEQUCLRJHW-UHFFFAOYSA-N
XLogP2.42
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-2-[(3-ethyl-1-methylpyrazole-5-carbonyl)amino]benzoic acid
CID 66121300
5-bromo-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzoic acid
CID 66126977
N-[4-(aminomethyl)phenyl]-1,3-diethylpyrazole-5-carboxamide
CID 66120978
N-(2-aminophenyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 66119915
2-[(3-ethyl-1-methylpyrazole-5-carbonyl)amino]pyridine-3-carboxylic acid
CID 66120323
1,3-diethyl-N-(1H-pyrazol-5-yl)pyrazole-5-carboxamide
CID 66120821
N-[5-(aminomethyl)-2-pyridinyl]-1,3-diethylpyrazole-5-carboxamide
CID 66122725
N-(3-bromo-2-pyridinyl)-1,3-diethylpyrazole-5-carboxamide
CID 66121397
N-(2-amino-6-fluorophenyl)-1,3-diethylpyrazole-5-carboxamide
CID 81315071
N-(3-bromo-4-methylphenyl)-1,3-diethylpyrazole-5-carboxamide
CID 66120808
3-chloro-2-[(3-ethyl-1-methylpyrazole-5-carbonyl)amino]benzoic acid
CID 107046375
3-ethyl-N-[2-(1-hydroxyethyl)phenyl]-1-methylpyrazole-5-carboxamide
CID 66119763

Frequently Asked Questions

What is the IUPAC name of 2-[(1,3-diethylpyrazole-5-carbonyl)amino]benzoic acid?
The IUPAC name of 2-[(1,3-diethylpyrazole-5-carbonyl)amino]benzoic acid (CID 66121377) is 2-[(1,3-diethylpyrazole-5-carbonyl)amino]benzoic acid.
What is the SMILES notation for 2-[(1,3-diethylpyrazole-5-carbonyl)amino]benzoic acid?
The canonical SMILES for 2-[(1,3-diethylpyrazole-5-carbonyl)amino]benzoic acid is CCc1cc(C(=O)Nc2ccccc2C(=O)O)n(CC)n1.
What is the InChIKey of 2-[(1,3-diethylpyrazole-5-carbonyl)amino]benzoic acid?
The InChIKey is NCXZIEQUCLRJHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-3-10-9-13(18(4-2)17-10)14(19)16-12-8-6-5-7-11(12)15(20)21/h5-9H,3-4H2,1-2H3,(H,16,19)(H,20,21).
What are the key properties of 2-[(1,3-diethylpyrazole-5-carbonyl)amino]benzoic acid?
2-[(1,3-diethylpyrazole-5-carbonyl)amino]benzoic acid has a molecular weight of 287.32 g/mol, XLogP of 2.42, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,3-diethylpyrazole-5-carbonyl)amino]benzoic acid is sourced from PubChem (CID 66121377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).