3-[[5-methyl-1-(4-methylphenyl)pyrazole-3-carbonyl]amino]oxolane-3-carboxylic acid

C17H19N3O4 — CID 120532707

IUPAC3-[[5-methyl-1-(4-methylphenyl)pyrazole-3-carbonyl]amino]oxolane-3-carboxylic acid
SMILESCc1ccc(-n2nc(C(=O)NC3(C(=O)O)CCOC3)cc2C)cc1
InChIInChI=1S/C17H19N3O4/c1-11-3-5-13(6-4-11)20-12(2)9-14(19-20)15(21)18-17(16(22)23)7-8-24-10-17/h3-6,9H,7-8,10H2,1-2H3,(H,18,21)(H,22,23)
InChIKeyBAVHJTCMLWDQFG-UHFFFAOYSA-N
MW329.36 g/mol
LogP1.46
Rot. Bonds4

About 3-[[5-methyl-1-(4-methylphenyl)pyrazole-3-carbonyl]amino]oxolane-3-carboxylic acid

3-[[5-methyl-1-(4-methylphenyl)pyrazole-3-carbonyl]amino]oxolane-3-carboxylic acid (PubChem CID 120532707) has the molecular formula C17H19N3O4 and a molecular weight of 329.36 g/mol. Its IUPAC name is 3-[[5-methyl-1-(4-methylphenyl)pyrazole-3-carbonyl]amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name3-[[5-methyl-1-(4-methylphenyl)pyrazole-3-carbonyl]amino]oxolane-3-carboxylic acid
PubChem CID120532707
Molecular FormulaC17H19N3O4
Molecular Weight329.36 g/mol
Exact Mass329.14
IUPAC Name3-[[5-methyl-1-(4-methylphenyl)pyrazole-3-carbonyl]amino]oxolane-3-carboxylic acid
SMILESCc1ccc(-n2nc(C(=O)NC3(C(=O)O)CCOC3)cc2C)cc1
InChIInChI=1S/C17H19N3O4/c1-11-3-5-13(6-4-11)20-12(2)9-14(19-20)15(21)18-17(16(22)23)7-8-24-10-17/h3-6,9H,7-8,10H2,1-2H3,(H,18,21)(H,22,23)
InChIKeyBAVHJTCMLWDQFG-UHFFFAOYSA-N
XLogP1.46
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[5-methyl-1-(4-methylphenyl)pyrazole-3-carbonyl]amino]oxolane-3-carboxylic acid?
The IUPAC name of 3-[[5-methyl-1-(4-methylphenyl)pyrazole-3-carbonyl]amino]oxolane-3-carboxylic acid (CID 120532707) is 3-[[5-methyl-1-(4-methylphenyl)pyrazole-3-carbonyl]amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 3-[[5-methyl-1-(4-methylphenyl)pyrazole-3-carbonyl]amino]oxolane-3-carboxylic acid?
The canonical SMILES for 3-[[5-methyl-1-(4-methylphenyl)pyrazole-3-carbonyl]amino]oxolane-3-carboxylic acid is Cc1ccc(-n2nc(C(=O)NC3(C(=O)O)CCOC3)cc2C)cc1.
What is the InChIKey of 3-[[5-methyl-1-(4-methylphenyl)pyrazole-3-carbonyl]amino]oxolane-3-carboxylic acid?
The InChIKey is BAVHJTCMLWDQFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4/c1-11-3-5-13(6-4-11)20-12(2)9-14(19-20)15(21)18-17(16(22)23)7-8-24-10-17/h3-6,9H,7-8,10H2,1-2H3,(H,18,21)(H,22,23).
What are the key properties of 3-[[5-methyl-1-(4-methylphenyl)pyrazole-3-carbonyl]amino]oxolane-3-carboxylic acid?
3-[[5-methyl-1-(4-methylphenyl)pyrazole-3-carbonyl]amino]oxolane-3-carboxylic acid has a molecular weight of 329.36 g/mol, XLogP of 1.46, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-methyl-1-(4-methylphenyl)pyrazole-3-carbonyl]amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 120532707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).