1-methyl-4-(1,2-oxazol-5-yl)pyrazole-5-carboxylic acid

C8H7N3O3 — CID 4912935

IUPAC1-methyl-4-(1,2-oxazol-5-yl)pyrazole-5-carboxylic acid
SMILESCn1ncc(-c2ccno2)c1C(=O)O
InChIInChI=1S/C8H7N3O3/c1-11-7(8(12)13)5(4-9-11)6-2-3-10-14-6/h2-4H,1H3,(H,12,13)
InChIKeyIPKLNHHOWOKQKK-UHFFFAOYSA-N
MW193.16 g/mol
LogP0.77
Rot. Bonds2

About 1-methyl-4-(1,2-oxazol-5-yl)pyrazole-5-carboxylic acid

1-methyl-4-(1,2-oxazol-5-yl)pyrazole-5-carboxylic acid (PubChem CID 4912935) has the molecular formula C8H7N3O3 and a molecular weight of 193.16 g/mol. Its IUPAC name is 1-methyl-4-(1,2-oxazol-5-yl)pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name1-methyl-4-(1,2-oxazol-5-yl)pyrazole-5-carboxylic acid
PubChem CID4912935
Molecular FormulaC8H7N3O3
Molecular Weight193.16 g/mol
Exact Mass193.05
IUPAC Name1-methyl-4-(1,2-oxazol-5-yl)pyrazole-5-carboxylic acid
SMILESCn1ncc(-c2ccno2)c1C(=O)O
InChIInChI=1S/C8H7N3O3/c1-11-7(8(12)13)5(4-9-11)6-2-3-10-14-6/h2-4H,1H3,(H,12,13)
InChIKeyIPKLNHHOWOKQKK-UHFFFAOYSA-N
XLogP0.77
TPSA81.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.16
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(1,2-oxazol-5-yl)pyrazole-5-carboxylic acid?
The IUPAC name of 1-methyl-4-(1,2-oxazol-5-yl)pyrazole-5-carboxylic acid (CID 4912935) is 1-methyl-4-(1,2-oxazol-5-yl)pyrazole-5-carboxylic acid.
What is the SMILES notation for 1-methyl-4-(1,2-oxazol-5-yl)pyrazole-5-carboxylic acid?
The canonical SMILES for 1-methyl-4-(1,2-oxazol-5-yl)pyrazole-5-carboxylic acid is Cn1ncc(-c2ccno2)c1C(=O)O.
What is the InChIKey of 1-methyl-4-(1,2-oxazol-5-yl)pyrazole-5-carboxylic acid?
The InChIKey is IPKLNHHOWOKQKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O3/c1-11-7(8(12)13)5(4-9-11)6-2-3-10-14-6/h2-4H,1H3,(H,12,13).
What are the key properties of 1-methyl-4-(1,2-oxazol-5-yl)pyrazole-5-carboxylic acid?
1-methyl-4-(1,2-oxazol-5-yl)pyrazole-5-carboxylic acid has a molecular weight of 193.16 g/mol, XLogP of 0.77, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(1,2-oxazol-5-yl)pyrazole-5-carboxylic acid is sourced from PubChem (CID 4912935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).