3-(3,5-dimethyl-1H-pyrazol-4-yl)-4,5-dihydro-1,2-oxazole

C8H11N3O — CID 135494476

IUPAC3-(3,5-dimethyl-1H-pyrazol-4-yl)-4,5-dihydro-1,2-oxazole
SMILESCc1n[nH]c(C)c1C1=NOCC1
InChIInChI=1S/C8H11N3O/c1-5-8(6(2)10-9-5)7-3-4-12-11-7/h3-4H2,1-2H3,(H,9,10)
InChIKeyYCAKOJONNYQUDT-UHFFFAOYSA-N
MW165.20 g/mol
LogP1.15
Rot. Bonds1

About 3-(3,5-dimethyl-1H-pyrazol-4-yl)-4,5-dihydro-1,2-oxazole

3-(3,5-dimethyl-1H-pyrazol-4-yl)-4,5-dihydro-1,2-oxazole (PubChem CID 135494476) has the molecular formula C8H11N3O and a molecular weight of 165.20 g/mol. Its IUPAC name is 3-(3,5-dimethyl-1H-pyrazol-4-yl)-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name3-(3,5-dimethyl-1H-pyrazol-4-yl)-4,5-dihydro-1,2-oxazole
PubChem CID135494476
Molecular FormulaC8H11N3O
Molecular Weight165.20 g/mol
Exact Mass165.09
IUPAC Name3-(3,5-dimethyl-1H-pyrazol-4-yl)-4,5-dihydro-1,2-oxazole
SMILESCc1n[nH]c(C)c1C1=NOCC1
InChIInChI=1S/C8H11N3O/c1-5-8(6(2)10-9-5)7-3-4-12-11-7/h3-4H2,1-2H3,(H,9,10)
InChIKeyYCAKOJONNYQUDT-UHFFFAOYSA-N
XLogP1.15
TPSA50.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.20
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-4,5-dihydro-1,2-oxazole?
The IUPAC name of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-4,5-dihydro-1,2-oxazole (CID 135494476) is 3-(3,5-dimethyl-1H-pyrazol-4-yl)-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for 3-(3,5-dimethyl-1H-pyrazol-4-yl)-4,5-dihydro-1,2-oxazole?
The canonical SMILES for 3-(3,5-dimethyl-1H-pyrazol-4-yl)-4,5-dihydro-1,2-oxazole is Cc1n[nH]c(C)c1C1=NOCC1.
What is the InChIKey of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-4,5-dihydro-1,2-oxazole?
The InChIKey is YCAKOJONNYQUDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O/c1-5-8(6(2)10-9-5)7-3-4-12-11-7/h3-4H2,1-2H3,(H,9,10).
What are the key properties of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-4,5-dihydro-1,2-oxazole?
3-(3,5-dimethyl-1H-pyrazol-4-yl)-4,5-dihydro-1,2-oxazole has a molecular weight of 165.20 g/mol, XLogP of 1.15, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethyl-1H-pyrazol-4-yl)-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 135494476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).