1-methyl-5-[4-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]pyrazole-3-carboxylic acid

C15H15N3O3 — CID 117459365

IUPAC1-methyl-5-[4-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]pyrazole-3-carboxylic acid
SMILESCC1COC(c2ccc(-c3cc(C(=O)O)nn3C)cc2)=N1
InChIInChI=1S/C15H15N3O3/c1-9-8-21-14(16-9)11-5-3-10(4-6-11)13-7-12(15(19)20)17-18(13)2/h3-7,9H,8H2,1-2H3,(H,19,20)
InChIKeyXHPVRWWSKBVWOW-UHFFFAOYSA-N
MW285.30 g/mol
LogP1.95
Rot. Bonds3

About 1-methyl-5-[4-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]pyrazole-3-carboxylic acid

1-methyl-5-[4-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]pyrazole-3-carboxylic acid (PubChem CID 117459365) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is 1-methyl-5-[4-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name1-methyl-5-[4-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]pyrazole-3-carboxylic acid
PubChem CID117459365
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name1-methyl-5-[4-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]pyrazole-3-carboxylic acid
SMILESCC1COC(c2ccc(-c3cc(C(=O)O)nn3C)cc2)=N1
InChIInChI=1S/C15H15N3O3/c1-9-8-21-14(16-9)11-5-3-10(4-6-11)13-7-12(15(19)20)17-18(13)2/h3-7,9H,8H2,1-2H3,(H,19,20)
InChIKeyXHPVRWWSKBVWOW-UHFFFAOYSA-N
XLogP1.95
TPSA76.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[4-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]pyrazole-3-carboxylic acid?
The IUPAC name of 1-methyl-5-[4-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]pyrazole-3-carboxylic acid (CID 117459365) is 1-methyl-5-[4-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]pyrazole-3-carboxylic acid.
What is the SMILES notation for 1-methyl-5-[4-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]pyrazole-3-carboxylic acid?
The canonical SMILES for 1-methyl-5-[4-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]pyrazole-3-carboxylic acid is CC1COC(c2ccc(-c3cc(C(=O)O)nn3C)cc2)=N1.
What is the InChIKey of 1-methyl-5-[4-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]pyrazole-3-carboxylic acid?
The InChIKey is XHPVRWWSKBVWOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c1-9-8-21-14(16-9)11-5-3-10(4-6-11)13-7-12(15(19)20)17-18(13)2/h3-7,9H,8H2,1-2H3,(H,19,20).
What are the key properties of 1-methyl-5-[4-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]pyrazole-3-carboxylic acid?
1-methyl-5-[4-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]pyrazole-3-carboxylic acid has a molecular weight of 285.30 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[4-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]pyrazole-3-carboxylic acid is sourced from PubChem (CID 117459365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).