7-(dimethoxymethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile

C10H10N4O2 — CID 1477541

IUPAC7-(dimethoxymethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESCOC(OC)c1ccnc2c(C#N)cnn12
InChIInChI=1S/C10H10N4O2/c1-15-10(16-2)8-3-4-12-9-7(5-11)6-13-14(8)9/h3-4,6,10H,1-2H3
InChIKeyTUMWGDBOWKKHPL-UHFFFAOYSA-N
MW218.22 g/mol
LogP0.89
Rot. Bonds3

About 7-(dimethoxymethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile

7-(dimethoxymethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile (PubChem CID 1477541) has the molecular formula C10H10N4O2 and a molecular weight of 218.22 g/mol. Its IUPAC name is 7-(dimethoxymethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile.

Molecular Properties

Compound Name7-(dimethoxymethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
PubChem CID1477541
Molecular FormulaC10H10N4O2
Molecular Weight218.22 g/mol
Exact Mass218.08
IUPAC Name7-(dimethoxymethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESCOC(OC)c1ccnc2c(C#N)cnn12
InChIInChI=1S/C10H10N4O2/c1-15-10(16-2)8-3-4-12-9-7(5-11)6-13-14(8)9/h3-4,6,10H,1-2H3
InChIKeyTUMWGDBOWKKHPL-UHFFFAOYSA-N
XLogP0.89
TPSA72.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-(dimethoxymethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The IUPAC name of 7-(dimethoxymethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile (CID 1477541) is 7-(dimethoxymethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile.
What is the SMILES notation for 7-(dimethoxymethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The canonical SMILES for 7-(dimethoxymethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile is COC(OC)c1ccnc2c(C#N)cnn12.
What is the InChIKey of 7-(dimethoxymethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The InChIKey is TUMWGDBOWKKHPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O2/c1-15-10(16-2)8-3-4-12-9-7(5-11)6-13-14(8)9/h3-4,6,10H,1-2H3.
What are the key properties of 7-(dimethoxymethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
7-(dimethoxymethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile has a molecular weight of 218.22 g/mol, XLogP of 0.89, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(dimethoxymethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile is sourced from PubChem (CID 1477541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).