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

C17H17N3O3 — CID 42601309

IUPAC1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-3-(2-methylphenyl)pyrazole-5-carboxylic acid
SMILESCCc1cc(Cn2nc(-c3ccccc3C)cc2C(=O)O)on1
InChIInChI=1S/C17H17N3O3/c1-3-12-8-13(23-19-12)10-20-16(17(21)22)9-15(18-20)14-7-5-4-6-11(14)2/h4-9H,3,10H2,1-2H3,(H,21,22)
InChIKeyAWOAODOYKOSXQT-UHFFFAOYSA-N
MW311.34 g/mol
LogP3.16
Rot. Bonds5

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

1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-3-(2-methylphenyl)pyrazole-5-carboxylic acid (PubChem CID 42601309) has the molecular formula C17H17N3O3 and a molecular weight of 311.34 g/mol. Its IUPAC name is 1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-3-(2-methylphenyl)pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-3-(2-methylphenyl)pyrazole-5-carboxylic acid
PubChem CID42601309
Molecular FormulaC17H17N3O3
Molecular Weight311.34 g/mol
Exact Mass311.13
IUPAC Name1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-3-(2-methylphenyl)pyrazole-5-carboxylic acid
SMILESCCc1cc(Cn2nc(-c3ccccc3C)cc2C(=O)O)on1
InChIInChI=1S/C17H17N3O3/c1-3-12-8-13(23-19-12)10-20-16(17(21)22)9-15(18-20)14-7-5-4-6-11(14)2/h4-9H,3,10H2,1-2H3,(H,21,22)
InChIKeyAWOAODOYKOSXQT-UHFFFAOYSA-N
XLogP3.16
TPSA81.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-4-(1,2-oxazol-5-yl)-1H-pyrazole-5-carboxylic acid
CID 4912935
5-(1,5-dimethyl-1H-pyrazol-4-yl)-1,2-oxazole-3-carboxylic acid
CID 3159574
5-(1-ethyl-5-methyl-1H-pyrazol-4-yl)isoxazole-3-carboxylic acid
CID 6484393
5-(1,3-dimethyl-1H-pyrazol-4-yl)isoxazole-3-carboxylic acid
CID 3161121
1-[(3-Ethyl-1,2-oxazol-5-yl)methyl]-5-phenylpyrazole-3-carboxylic acid
CID 24980480
1-[(3-Ethyl-1,2-oxazol-5-yl)methyl]-3-phenylpyrazole-5-carboxylic acid
CID 24980534
Ethyl 1-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-phenylpyrazole-5-carboxylate
CID 24980579
Ethyl 1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-5-phenylpyrazole-3-carboxylate
CID 24982890
1-[[3-(4-Methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-3-(2-methylphenyl)pyrazole-5-carboxylic acid
CID 42601308
1-[(3-Methyl-1,2-oxazol-5-yl)methyl]-3-(2-methylphenyl)pyrazole-5-carboxylic acid
CID 42601310
Ethyl 1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-3-phenylpyrazole-5-carboxylate
CID 24980481
5-(2-Methylphenyl)-1-[[3-(3-nitrophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]pyrazole-3-carboxylic acid
CID 25102773

Frequently Asked Questions

What is the IUPAC name of 1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-3-(2-methylphenyl)pyrazole-5-carboxylic acid?
The IUPAC name of 1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-3-(2-methylphenyl)pyrazole-5-carboxylic acid (CID 42601309) is 1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-3-(2-methylphenyl)pyrazole-5-carboxylic acid.
What is the SMILES notation for 1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-3-(2-methylphenyl)pyrazole-5-carboxylic acid?
The canonical SMILES for 1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-3-(2-methylphenyl)pyrazole-5-carboxylic acid is CCc1cc(Cn2nc(-c3ccccc3C)cc2C(=O)O)on1.
What is the InChIKey of 1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-3-(2-methylphenyl)pyrazole-5-carboxylic acid?
The InChIKey is AWOAODOYKOSXQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3/c1-3-12-8-13(23-19-12)10-20-16(17(21)22)9-15(18-20)14-7-5-4-6-11(14)2/h4-9H,3,10H2,1-2H3,(H,21,22).
What are the key properties of 1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-3-(2-methylphenyl)pyrazole-5-carboxylic acid?
1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-3-(2-methylphenyl)pyrazole-5-carboxylic acid has a molecular weight of 311.34 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-3-(2-methylphenyl)pyrazole-5-carboxylic acid is sourced from PubChem (CID 42601309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).