3-[(4,5-dimethylpyrazol-1-yl)methyl]-5-methyl-1,2-oxazole

C10H13N3O — CID 130312585

IUPAC3-[(4,5-dimethylpyrazol-1-yl)methyl]-5-methyl-1,2-oxazole
SMILESCc1cc(Cn2ncc(C)c2C)no1
InChIInChI=1S/C10H13N3O/c1-7-5-11-13(9(7)3)6-10-4-8(2)14-12-10/h4-5H,6H2,1-3H3
InChIKeyDUAONIKZGWLQPQ-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.84
Rot. Bonds2

About 3-[(4,5-dimethylpyrazol-1-yl)methyl]-5-methyl-1,2-oxazole

3-[(4,5-dimethylpyrazol-1-yl)methyl]-5-methyl-1,2-oxazole (PubChem CID 130312585) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is 3-[(4,5-dimethylpyrazol-1-yl)methyl]-5-methyl-1,2-oxazole.

Molecular Properties

Compound Name3-[(4,5-dimethylpyrazol-1-yl)methyl]-5-methyl-1,2-oxazole
PubChem CID130312585
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name3-[(4,5-dimethylpyrazol-1-yl)methyl]-5-methyl-1,2-oxazole
SMILESCc1cc(Cn2ncc(C)c2C)no1
InChIInChI=1S/C10H13N3O/c1-7-5-11-13(9(7)3)6-10-4-8(2)14-12-10/h4-5H,6H2,1-3H3
InChIKeyDUAONIKZGWLQPQ-UHFFFAOYSA-N
XLogP1.84
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-[(4,5-dimethylpyrazol-1-yl)methyl]-5-methyl-1,2-oxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(4,5-dimethylpyrazol-1-yl)methyl]-5-methyl-1,2-oxazole?
The IUPAC name of 3-[(4,5-dimethylpyrazol-1-yl)methyl]-5-methyl-1,2-oxazole (CID 130312585) is 3-[(4,5-dimethylpyrazol-1-yl)methyl]-5-methyl-1,2-oxazole.
What is the SMILES notation for 3-[(4,5-dimethylpyrazol-1-yl)methyl]-5-methyl-1,2-oxazole?
The canonical SMILES for 3-[(4,5-dimethylpyrazol-1-yl)methyl]-5-methyl-1,2-oxazole is Cc1cc(Cn2ncc(C)c2C)no1.
What is the InChIKey of 3-[(4,5-dimethylpyrazol-1-yl)methyl]-5-methyl-1,2-oxazole?
The InChIKey is DUAONIKZGWLQPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c1-7-5-11-13(9(7)3)6-10-4-8(2)14-12-10/h4-5H,6H2,1-3H3.
What are the key properties of 3-[(4,5-dimethylpyrazol-1-yl)methyl]-5-methyl-1,2-oxazole?
3-[(4,5-dimethylpyrazol-1-yl)methyl]-5-methyl-1,2-oxazole has a molecular weight of 191.23 g/mol, XLogP of 1.84, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4,5-dimethylpyrazol-1-yl)methyl]-5-methyl-1,2-oxazole is sourced from PubChem (CID 130312585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).