2-(4-hydroxyphenyl)-7-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carbonitrile

C19H16N4O — CID 141404090

IUPAC2-(4-hydroxyphenyl)-7-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESN#Cc1c(-c2ccc(O)cc2)nn2c1NCCC2c1ccccc1
InChIInChI=1S/C19H16N4O/c20-12-16-18(14-6-8-15(24)9-7-14)22-23-17(10-11-21-19(16)23)13-4-2-1-3-5-13/h1-9,17,21,24H,10-11H2
InChIKeyZBPVUAWCUWBLKM-UHFFFAOYSA-N
MW316.36 g/mol
LogP3.53
Rot. Bonds2

About 2-(4-hydroxyphenyl)-7-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carbonitrile

2-(4-hydroxyphenyl)-7-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carbonitrile (PubChem CID 141404090) has the molecular formula C19H16N4O and a molecular weight of 316.36 g/mol. Its IUPAC name is 2-(4-hydroxyphenyl)-7-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carbonitrile.

Molecular Properties

Compound Name2-(4-hydroxyphenyl)-7-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carbonitrile
PubChem CID141404090
Molecular FormulaC19H16N4O
Molecular Weight316.36 g/mol
Exact Mass316.13
IUPAC Name2-(4-hydroxyphenyl)-7-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESN#Cc1c(-c2ccc(O)cc2)nn2c1NCCC2c1ccccc1
InChIInChI=1S/C19H16N4O/c20-12-16-18(14-6-8-15(24)9-7-14)22-23-17(10-11-21-19(16)23)13-4-2-1-3-5-13/h1-9,17,21,24H,10-11H2
InChIKeyZBPVUAWCUWBLKM-UHFFFAOYSA-N
XLogP3.53
TPSA73.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxyphenyl)-7-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The IUPAC name of 2-(4-hydroxyphenyl)-7-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carbonitrile (CID 141404090) is 2-(4-hydroxyphenyl)-7-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carbonitrile.
What is the SMILES notation for 2-(4-hydroxyphenyl)-7-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The canonical SMILES for 2-(4-hydroxyphenyl)-7-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carbonitrile is N#Cc1c(-c2ccc(O)cc2)nn2c1NCCC2c1ccccc1.
What is the InChIKey of 2-(4-hydroxyphenyl)-7-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The InChIKey is ZBPVUAWCUWBLKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O/c20-12-16-18(14-6-8-15(24)9-7-14)22-23-17(10-11-21-19(16)23)13-4-2-1-3-5-13/h1-9,17,21,24H,10-11H2.
What are the key properties of 2-(4-hydroxyphenyl)-7-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carbonitrile?
2-(4-hydroxyphenyl)-7-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carbonitrile has a molecular weight of 316.36 g/mol, XLogP of 3.53, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxyphenyl)-7-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carbonitrile is sourced from PubChem (CID 141404090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).