1-(4,6-dimethylpyrimidin-2-yl)-3-(5-methylfuran-2-yl)pyrazole-4-carbaldehyde

C15H14N4O2 — CID 43244285

IUPAC1-(4,6-dimethylpyrimidin-2-yl)-3-(5-methylfuran-2-yl)pyrazole-4-carbaldehyde
SMILESCc1cc(C)nc(-n2cc(C=O)c(-c3ccc(C)o3)n2)n1
InChIInChI=1S/C15H14N4O2/c1-9-6-10(2)17-15(16-9)19-7-12(8-20)14(18-19)13-5-4-11(3)21-13/h4-8H,1-3H3
InChIKeyVYOMFWDEFCSQFO-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.66
Rot. Bonds3

About 1-(4,6-dimethylpyrimidin-2-yl)-3-(5-methylfuran-2-yl)pyrazole-4-carbaldehyde

1-(4,6-dimethylpyrimidin-2-yl)-3-(5-methylfuran-2-yl)pyrazole-4-carbaldehyde (PubChem CID 43244285) has the molecular formula C15H14N4O2 and a molecular weight of 282.30 g/mol. Its IUPAC name is 1-(4,6-dimethylpyrimidin-2-yl)-3-(5-methylfuran-2-yl)pyrazole-4-carbaldehyde.

Molecular Properties

Compound Name1-(4,6-dimethylpyrimidin-2-yl)-3-(5-methylfuran-2-yl)pyrazole-4-carbaldehyde
PubChem CID43244285
Molecular FormulaC15H14N4O2
Molecular Weight282.30 g/mol
Exact Mass282.11
IUPAC Name1-(4,6-dimethylpyrimidin-2-yl)-3-(5-methylfuran-2-yl)pyrazole-4-carbaldehyde
SMILESCc1cc(C)nc(-n2cc(C=O)c(-c3ccc(C)o3)n2)n1
InChIInChI=1S/C15H14N4O2/c1-9-6-10(2)17-15(16-9)19-7-12(8-20)14(18-19)13-5-4-11(3)21-13/h4-8H,1-3H3
InChIKeyVYOMFWDEFCSQFO-UHFFFAOYSA-N
XLogP2.66
TPSA73.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.66
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 1-(4,6-dimethylpyrimidin-2-yl)-3-(5-methylfuran-2-yl)pyrazole-4-carbaldehyde?
The IUPAC name of 1-(4,6-dimethylpyrimidin-2-yl)-3-(5-methylfuran-2-yl)pyrazole-4-carbaldehyde (CID 43244285) is 1-(4,6-dimethylpyrimidin-2-yl)-3-(5-methylfuran-2-yl)pyrazole-4-carbaldehyde.
What is the SMILES notation for 1-(4,6-dimethylpyrimidin-2-yl)-3-(5-methylfuran-2-yl)pyrazole-4-carbaldehyde?
The canonical SMILES for 1-(4,6-dimethylpyrimidin-2-yl)-3-(5-methylfuran-2-yl)pyrazole-4-carbaldehyde is Cc1cc(C)nc(-n2cc(C=O)c(-c3ccc(C)o3)n2)n1.
What is the InChIKey of 1-(4,6-dimethylpyrimidin-2-yl)-3-(5-methylfuran-2-yl)pyrazole-4-carbaldehyde?
The InChIKey is VYOMFWDEFCSQFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2/c1-9-6-10(2)17-15(16-9)19-7-12(8-20)14(18-19)13-5-4-11(3)21-13/h4-8H,1-3H3.
What are the key properties of 1-(4,6-dimethylpyrimidin-2-yl)-3-(5-methylfuran-2-yl)pyrazole-4-carbaldehyde?
1-(4,6-dimethylpyrimidin-2-yl)-3-(5-methylfuran-2-yl)pyrazole-4-carbaldehyde has a molecular weight of 282.30 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-dimethylpyrimidin-2-yl)-3-(5-methylfuran-2-yl)pyrazole-4-carbaldehyde is sourced from PubChem (CID 43244285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).