6-(4-methoxyphenyl)-7-oxo-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidine-5-carbonitrile

C26H18N4O2 — CID 134307602

IUPAC6-(4-methoxyphenyl)-7-oxo-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidine-5-carbonitrile
SMILESCOc1ccc(-c2c(C#N)nc3c(-c4ccccc4)c(-c4ccccc4)[nH]n3c2=O)cc1
InChIInChI=1S/C26H18N4O2/c1-32-20-14-12-18(13-15-20)22-21(16-27)28-25-23(17-8-4-2-5-9-17)24(29-30(25)26(22)31)19-10-6-3-7-11-19/h2-15,29H,1H3
InChIKeyWYOZVEOCLFYMNT-UHFFFAOYSA-N
MW418.46 g/mol
LogP4.90
Rot. Bonds4

About 6-(4-methoxyphenyl)-7-oxo-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidine-5-carbonitrile

6-(4-methoxyphenyl)-7-oxo-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidine-5-carbonitrile (PubChem CID 134307602) has the molecular formula C26H18N4O2 and a molecular weight of 418.46 g/mol. Its IUPAC name is 6-(4-methoxyphenyl)-7-oxo-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name6-(4-methoxyphenyl)-7-oxo-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidine-5-carbonitrile
PubChem CID134307602
Molecular FormulaC26H18N4O2
Molecular Weight418.46 g/mol
Exact Mass418.14
IUPAC Name6-(4-methoxyphenyl)-7-oxo-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidine-5-carbonitrile
SMILESCOc1ccc(-c2c(C#N)nc3c(-c4ccccc4)c(-c4ccccc4)[nH]n3c2=O)cc1
InChIInChI=1S/C26H18N4O2/c1-32-20-14-12-18(13-15-20)22-21(16-27)28-25-23(17-8-4-2-5-9-17)24(29-30(25)26(22)31)19-10-6-3-7-11-19/h2-15,29H,1H3
InChIKeyWYOZVEOCLFYMNT-UHFFFAOYSA-N
XLogP4.90
TPSA83.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.46
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-ethyl-3-(4-methoxyphenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7(4H)-one
CID 971409
2-(4-methoxyphenyl)-N-(4-oxo-2-phenylquinazolin-3(4H)-yl)acetamide
CID 1934406
2-(4-methoxybenzyl)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7(4H)-one
CID 879313
7-oxo-6-propan-2-yl-5-[4-(trifluoromethoxy)phenyl]-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 90454642
6-(4-hydroxyphenyl)-5-methyl-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 134307806
6-benzyl-2-(4-methoxyphenyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
CID 667143
2-(4-methoxyphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrazolo[1,5-a]pyrimidin-8-ol
CID 807711
6-chloro-2-(4-methoxybenzyl)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7(4H)-one
CID 1370213
6-butyl-3-(4-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7(4H)-one
CID 16457434
6-ethyl-3-(2-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7(4H)-one
CID 977455
6-benzyl-3-(2-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7(4H)-one
CID 1291628
3-(4-methoxyphenyl)-2-methyl-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 3157234

Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxyphenyl)-7-oxo-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidine-5-carbonitrile?
The IUPAC name of 6-(4-methoxyphenyl)-7-oxo-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidine-5-carbonitrile (CID 134307602) is 6-(4-methoxyphenyl)-7-oxo-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidine-5-carbonitrile.
What is the SMILES notation for 6-(4-methoxyphenyl)-7-oxo-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidine-5-carbonitrile?
The canonical SMILES for 6-(4-methoxyphenyl)-7-oxo-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidine-5-carbonitrile is COc1ccc(-c2c(C#N)nc3c(-c4ccccc4)c(-c4ccccc4)[nH]n3c2=O)cc1.
What is the InChIKey of 6-(4-methoxyphenyl)-7-oxo-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidine-5-carbonitrile?
The InChIKey is WYOZVEOCLFYMNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18N4O2/c1-32-20-14-12-18(13-15-20)22-21(16-27)28-25-23(17-8-4-2-5-9-17)24(29-30(25)26(22)31)19-10-6-3-7-11-19/h2-15,29H,1H3.
What are the key properties of 6-(4-methoxyphenyl)-7-oxo-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidine-5-carbonitrile?
6-(4-methoxyphenyl)-7-oxo-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidine-5-carbonitrile has a molecular weight of 418.46 g/mol, XLogP of 4.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxyphenyl)-7-oxo-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidine-5-carbonitrile is sourced from PubChem (CID 134307602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).