7-(2-methoxyphenyl)-3-phenylpyrazolo[1,5-a]pyrimidine

C19H15N3O — CID 56737889

IUPAC7-(2-methoxyphenyl)-3-phenylpyrazolo[1,5-a]pyrimidine
SMILESCOc1ccccc1-c1ccnc2c(-c3ccccc3)cnn12
InChIInChI=1S/C19H15N3O/c1-23-18-10-6-5-9-15(18)17-11-12-20-19-16(13-21-22(17)19)14-7-3-2-4-8-14/h2-13H,1H3
InChIKeyIFQJXTVIFTXZAI-UHFFFAOYSA-N
MW301.35 g/mol
LogP4.07
Rot. Bonds3

About 7-(2-methoxyphenyl)-3-phenylpyrazolo[1,5-a]pyrimidine

7-(2-methoxyphenyl)-3-phenylpyrazolo[1,5-a]pyrimidine (PubChem CID 56737889) has the molecular formula C19H15N3O and a molecular weight of 301.35 g/mol. Its IUPAC name is 7-(2-methoxyphenyl)-3-phenylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(2-methoxyphenyl)-3-phenylpyrazolo[1,5-a]pyrimidine
PubChem CID56737889
Molecular FormulaC19H15N3O
Molecular Weight301.35 g/mol
Exact Mass301.12
IUPAC Name7-(2-methoxyphenyl)-3-phenylpyrazolo[1,5-a]pyrimidine
SMILESCOc1ccccc1-c1ccnc2c(-c3ccccc3)cnn12
InChIInChI=1S/C19H15N3O/c1-23-18-10-6-5-9-15(18)17-11-12-20-19-16(13-21-22(17)19)14-7-3-2-4-8-14/h2-13H,1H3
InChIKeyIFQJXTVIFTXZAI-UHFFFAOYSA-N
XLogP4.07
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(2-methoxyphenyl)-3-phenylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(2-methoxyphenyl)-3-phenylpyrazolo[1,5-a]pyrimidine (CID 56737889) is 7-(2-methoxyphenyl)-3-phenylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(2-methoxyphenyl)-3-phenylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(2-methoxyphenyl)-3-phenylpyrazolo[1,5-a]pyrimidine is COc1ccccc1-c1ccnc2c(-c3ccccc3)cnn12.
What is the InChIKey of 7-(2-methoxyphenyl)-3-phenylpyrazolo[1,5-a]pyrimidine?
The InChIKey is IFQJXTVIFTXZAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O/c1-23-18-10-6-5-9-15(18)17-11-12-20-19-16(13-21-22(17)19)14-7-3-2-4-8-14/h2-13H,1H3.
What are the key properties of 7-(2-methoxyphenyl)-3-phenylpyrazolo[1,5-a]pyrimidine?
7-(2-methoxyphenyl)-3-phenylpyrazolo[1,5-a]pyrimidine has a molecular weight of 301.35 g/mol, XLogP of 4.07, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-methoxyphenyl)-3-phenylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 56737889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).