3,5-dimethyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrazole-4-carbaldehyde

C10H12N4O2 — CID 43647272

IUPAC3,5-dimethyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrazole-4-carbaldehyde
SMILESCc1noc(Cn2nc(C)c(C=O)c2C)n1
InChIInChI=1S/C10H12N4O2/c1-6-9(5-15)7(2)14(12-6)4-10-11-8(3)13-16-10/h5H,4H2,1-3H3
InChIKeyBFOHSPUGBIECTC-UHFFFAOYSA-N
MW220.23 g/mol
LogP1.05
Rot. Bonds3

About 3,5-dimethyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrazole-4-carbaldehyde

3,5-dimethyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrazole-4-carbaldehyde (PubChem CID 43647272) has the molecular formula C10H12N4O2 and a molecular weight of 220.23 g/mol. Its IUPAC name is 3,5-dimethyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrazole-4-carbaldehyde.

Molecular Properties

Compound Name3,5-dimethyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrazole-4-carbaldehyde
PubChem CID43647272
Molecular FormulaC10H12N4O2
Molecular Weight220.23 g/mol
Exact Mass220.10
IUPAC Name3,5-dimethyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrazole-4-carbaldehyde
SMILESCc1noc(Cn2nc(C)c(C=O)c2C)n1
InChIInChI=1S/C10H12N4O2/c1-6-9(5-15)7(2)14(12-6)4-10-11-8(3)13-16-10/h5H,4H2,1-3H3
InChIKeyBFOHSPUGBIECTC-UHFFFAOYSA-N
XLogP1.05
TPSA73.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrazole-4-carbaldehyde?
The IUPAC name of 3,5-dimethyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrazole-4-carbaldehyde (CID 43647272) is 3,5-dimethyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrazole-4-carbaldehyde.
What is the SMILES notation for 3,5-dimethyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrazole-4-carbaldehyde?
The canonical SMILES for 3,5-dimethyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrazole-4-carbaldehyde is Cc1noc(Cn2nc(C)c(C=O)c2C)n1.
What is the InChIKey of 3,5-dimethyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrazole-4-carbaldehyde?
The InChIKey is BFOHSPUGBIECTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2/c1-6-9(5-15)7(2)14(12-6)4-10-11-8(3)13-16-10/h5H,4H2,1-3H3.
What are the key properties of 3,5-dimethyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrazole-4-carbaldehyde?
3,5-dimethyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrazole-4-carbaldehyde has a molecular weight of 220.23 g/mol, XLogP of 1.05, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrazole-4-carbaldehyde is sourced from PubChem (CID 43647272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).