1-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-(2-methylphenyl)pyrazole-5-carboxylic acid

C16H15N3O3 — CID 42601310

IUPAC1-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-(2-methylphenyl)pyrazole-5-carboxylic acid
SMILESCc1cc(Cn2nc(-c3ccccc3C)cc2C(=O)O)on1
InChIInChI=1S/C16H15N3O3/c1-10-5-3-4-6-13(10)14-8-15(16(20)21)19(17-14)9-12-7-11(2)18-22-12/h3-8H,9H2,1-2H3,(H,20,21)
InChIKeyLRNIDPLMJZGMRJ-UHFFFAOYSA-N
MW297.31 g/mol
LogP2.90
Rot. Bonds4

About 1-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-(2-methylphenyl)pyrazole-5-carboxylic acid

1-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-(2-methylphenyl)pyrazole-5-carboxylic acid (PubChem CID 42601310) has the molecular formula C16H15N3O3 and a molecular weight of 297.31 g/mol. Its IUPAC name is 1-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-(2-methylphenyl)pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name1-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-(2-methylphenyl)pyrazole-5-carboxylic acid
PubChem CID42601310
Molecular FormulaC16H15N3O3
Molecular Weight297.31 g/mol
Exact Mass297.11
IUPAC Name1-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-(2-methylphenyl)pyrazole-5-carboxylic acid
SMILESCc1cc(Cn2nc(-c3ccccc3C)cc2C(=O)O)on1
InChIInChI=1S/C16H15N3O3/c1-10-5-3-4-6-13(10)14-8-15(16(20)21)19(17-14)9-12-7-11(2)18-22-12/h3-8H,9H2,1-2H3,(H,20,21)
InChIKeyLRNIDPLMJZGMRJ-UHFFFAOYSA-N
XLogP2.90
TPSA81.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-(2-methylphenyl)pyrazole-5-carboxylic acid?
The IUPAC name of 1-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-(2-methylphenyl)pyrazole-5-carboxylic acid (CID 42601310) is 1-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-(2-methylphenyl)pyrazole-5-carboxylic acid.
What is the SMILES notation for 1-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-(2-methylphenyl)pyrazole-5-carboxylic acid?
The canonical SMILES for 1-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-(2-methylphenyl)pyrazole-5-carboxylic acid is Cc1cc(Cn2nc(-c3ccccc3C)cc2C(=O)O)on1.
What is the InChIKey of 1-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-(2-methylphenyl)pyrazole-5-carboxylic acid?
The InChIKey is LRNIDPLMJZGMRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3/c1-10-5-3-4-6-13(10)14-8-15(16(20)21)19(17-14)9-12-7-11(2)18-22-12/h3-8H,9H2,1-2H3,(H,20,21).
What are the key properties of 1-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-(2-methylphenyl)pyrazole-5-carboxylic acid?
1-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-(2-methylphenyl)pyrazole-5-carboxylic acid has a molecular weight of 297.31 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-(2-methylphenyl)pyrazole-5-carboxylic acid is sourced from PubChem (CID 42601310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).