2-(4-chlorophenyl)-7-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-6-carbonitrile

C20H13ClN4O — CID 3265312

IUPAC2-(4-chlorophenyl)-7-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-6-carbonitrile
SMILESCOc1ccc(-c2c(C#N)cnc3cc(-c4ccc(Cl)cc4)nn23)cc1
InChIInChI=1S/C20H13ClN4O/c1-26-17-8-4-14(5-9-17)20-15(11-22)12-23-19-10-18(24-25(19)20)13-2-6-16(21)7-3-13/h2-10,12H,1H3
InChIKeyZTUFTRDRHPBHAA-UHFFFAOYSA-N
MW360.80 g/mol
LogP4.60
Rot. Bonds3

About 2-(4-chlorophenyl)-7-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-6-carbonitrile

2-(4-chlorophenyl)-7-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-6-carbonitrile (PubChem CID 3265312) has the molecular formula C20H13ClN4O and a molecular weight of 360.80 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-7-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-6-carbonitrile.

Molecular Properties

Compound Name2-(4-chlorophenyl)-7-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-6-carbonitrile
PubChem CID3265312
Molecular FormulaC20H13ClN4O
Molecular Weight360.80 g/mol
Exact Mass360.08
IUPAC Name2-(4-chlorophenyl)-7-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-6-carbonitrile
SMILESCOc1ccc(-c2c(C#N)cnc3cc(-c4ccc(Cl)cc4)nn23)cc1
InChIInChI=1S/C20H13ClN4O/c1-26-17-8-4-14(5-9-17)20-15(11-22)12-23-19-10-18(24-25(19)20)13-2-6-16(21)7-3-13/h2-10,12H,1H3
InChIKeyZTUFTRDRHPBHAA-UHFFFAOYSA-N
XLogP4.60
TPSA63.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.80
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-7-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-6-carbonitrile?
The IUPAC name of 2-(4-chlorophenyl)-7-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-6-carbonitrile (CID 3265312) is 2-(4-chlorophenyl)-7-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-6-carbonitrile.
What is the SMILES notation for 2-(4-chlorophenyl)-7-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-6-carbonitrile?
The canonical SMILES for 2-(4-chlorophenyl)-7-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-6-carbonitrile is COc1ccc(-c2c(C#N)cnc3cc(-c4ccc(Cl)cc4)nn23)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-7-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-6-carbonitrile?
The InChIKey is ZTUFTRDRHPBHAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13ClN4O/c1-26-17-8-4-14(5-9-17)20-15(11-22)12-23-19-10-18(24-25(19)20)13-2-6-16(21)7-3-13/h2-10,12H,1H3.
What are the key properties of 2-(4-chlorophenyl)-7-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-6-carbonitrile?
2-(4-chlorophenyl)-7-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-6-carbonitrile has a molecular weight of 360.80 g/mol, XLogP of 4.60, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-7-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-6-carbonitrile is sourced from PubChem (CID 3265312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).