3-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine

C13H11N3O — CID 71150900

IUPAC3-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine
SMILESCOc1ccc(-c2cnn3cccnc23)cc1
InChIInChI=1S/C13H11N3O/c1-17-11-5-3-10(4-6-11)12-9-15-16-8-2-7-14-13(12)16/h2-9H,1H3
InChIKeyDTMPSNFRUVJTNH-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.40
Rot. Bonds2

About 3-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine

3-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine (PubChem CID 71150900) has the molecular formula C13H11N3O and a molecular weight of 225.25 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name3-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine
PubChem CID71150900
Molecular FormulaC13H11N3O
Molecular Weight225.25 g/mol
Exact Mass225.09
IUPAC Name3-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine
SMILESCOc1ccc(-c2cnn3cccnc23)cc1
InChIInChI=1S/C13H11N3O/c1-17-11-5-3-10(4-6-11)12-9-15-16-8-2-7-14-13(12)16/h2-9H,1H3
InChIKeyDTMPSNFRUVJTNH-UHFFFAOYSA-N
XLogP2.40
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 3-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine (CID 71150900) is 3-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 3-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 3-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine is COc1ccc(-c2cnn3cccnc23)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is DTMPSNFRUVJTNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O/c1-17-11-5-3-10(4-6-11)12-9-15-16-8-2-7-14-13(12)16/h2-9H,1H3.
What are the key properties of 3-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine?
3-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 225.25 g/mol, XLogP of 2.40, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 71150900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).