1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazole-4-carbonyl azide

C10H10N6O2 — CID 57422425

IUPAC1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazole-4-carbonyl azide
SMILESCc1noc(C)c1Cn1cc(C(=O)N=[N+]=[N-])cn1
InChIInChI=1S/C10H10N6O2/c1-6-9(7(2)18-14-6)5-16-4-8(3-12-16)10(17)13-15-11/h3-4H,5H2,1-2H3
InChIKeyZMMQEVBPADVOTC-UHFFFAOYSA-N
MW246.23 g/mol
LogP1.99
Rot. Bonds3

About 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazole-4-carbonyl azide

1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazole-4-carbonyl azide (PubChem CID 57422425) has the molecular formula C10H10N6O2 and a molecular weight of 246.23 g/mol. Its IUPAC name is 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazole-4-carbonyl azide.

Molecular Properties

Compound Name1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazole-4-carbonyl azide
PubChem CID57422425
Molecular FormulaC10H10N6O2
Molecular Weight246.23 g/mol
Exact Mass246.09
IUPAC Name1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazole-4-carbonyl azide
SMILESCc1noc(C)c1Cn1cc(C(=O)N=[N+]=[N-])cn1
InChIInChI=1S/C10H10N6O2/c1-6-9(7(2)18-14-6)5-16-4-8(3-12-16)10(17)13-15-11/h3-4H,5H2,1-2H3
InChIKeyZMMQEVBPADVOTC-UHFFFAOYSA-N
XLogP1.99
TPSA109.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.23
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazole-4-carbonyl azide?
The IUPAC name of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazole-4-carbonyl azide (CID 57422425) is 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazole-4-carbonyl azide.
What is the SMILES notation for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazole-4-carbonyl azide?
The canonical SMILES for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazole-4-carbonyl azide is Cc1noc(C)c1Cn1cc(C(=O)N=[N+]=[N-])cn1.
What is the InChIKey of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazole-4-carbonyl azide?
The InChIKey is ZMMQEVBPADVOTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N6O2/c1-6-9(7(2)18-14-6)5-16-4-8(3-12-16)10(17)13-15-11/h3-4H,5H2,1-2H3.
What are the key properties of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazole-4-carbonyl azide?
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazole-4-carbonyl azide has a molecular weight of 246.23 g/mol, XLogP of 1.99, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazole-4-carbonyl azide is sourced from PubChem (CID 57422425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).