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

C16H15N3O3 — CID 24980480

IUPAC1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-5-phenylpyrazole-3-carboxylic acid
SMILESCCc1cc(Cn2nc(C(=O)O)cc2-c2ccccc2)on1
InChIInChI=1S/C16H15N3O3/c1-2-12-8-13(22-18-12)10-19-15(9-14(17-19)16(20)21)11-6-4-3-5-7-11/h3-9H,2,10H2,1H3,(H,20,21)
InChIKeyDOTQEWZMWSSHNR-UHFFFAOYSA-N
MW297.31 g/mol
LogP2.85
Rot. Bonds5

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

1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-5-phenylpyrazole-3-carboxylic acid (PubChem CID 24980480) has the molecular formula C16H15N3O3 and a molecular weight of 297.31 g/mol. Its IUPAC name is 1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-5-phenylpyrazole-3-carboxylic acid.

Molecular Properties

Compound Name1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-5-phenylpyrazole-3-carboxylic acid
PubChem CID24980480
Molecular FormulaC16H15N3O3
Molecular Weight297.31 g/mol
Exact Mass297.11
IUPAC Name1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-5-phenylpyrazole-3-carboxylic acid
SMILESCCc1cc(Cn2nc(C(=O)O)cc2-c2ccccc2)on1
InChIInChI=1S/C16H15N3O3/c1-2-12-8-13(22-18-12)10-19-15(9-14(17-19)16(20)21)11-6-4-3-5-7-11/h3-9H,2,10H2,1H3,(H,20,21)
InChIKeyDOTQEWZMWSSHNR-UHFFFAOYSA-N
XLogP2.85
TPSA81.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-5-phenylpyrazole-3-carboxylic acid?
The IUPAC name of 1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-5-phenylpyrazole-3-carboxylic acid (CID 24980480) is 1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-5-phenylpyrazole-3-carboxylic acid.
What is the SMILES notation for 1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-5-phenylpyrazole-3-carboxylic acid?
The canonical SMILES for 1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-5-phenylpyrazole-3-carboxylic acid is CCc1cc(Cn2nc(C(=O)O)cc2-c2ccccc2)on1.
What is the InChIKey of 1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-5-phenylpyrazole-3-carboxylic acid?
The InChIKey is DOTQEWZMWSSHNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3/c1-2-12-8-13(22-18-12)10-19-15(9-14(17-19)16(20)21)11-6-4-3-5-7-11/h3-9H,2,10H2,1H3,(H,20,21).
What are the key properties of 1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-5-phenylpyrazole-3-carboxylic acid?
1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-5-phenylpyrazole-3-carboxylic acid has a molecular weight of 297.31 g/mol, XLogP of 2.85, 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]-5-phenylpyrazole-3-carboxylic acid is sourced from PubChem (CID 24980480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).