5-chloro-7-methoxy-6-(4-methoxyphenyl)-2,3-diphenylpyrazolo[1,5-a]pyrimidine;ethane

C28H26ClN3O2 — CID 142295561

IUPAC5-chloro-7-methoxy-6-(4-methoxyphenyl)-2,3-diphenylpyrazolo[1,5-a]pyrimidine;ethane
SMILESCC.COc1ccc(-c2c(Cl)nc3c(-c4ccccc4)c(-c4ccccc4)nn3c2OC)cc1
InChIInChI=1S/C26H20ClN3O2.C2H6/c1-31-20-15-13-18(14-16-20)22-24(27)28-25-21(17-9-5-3-6-10-17)23(19-11-7-4-8-12-19)29-30(25)26(22)32-2;1-2/h3-16H,1-2H3;1-2H3
InChIKeyYAFBBYGNJJLRLR-UHFFFAOYSA-N
MW471.99 g/mol
LogP7.43
Rot. Bonds5

About 5-chloro-7-methoxy-6-(4-methoxyphenyl)-2,3-diphenylpyrazolo[1,5-a]pyrimidine;ethane

5-chloro-7-methoxy-6-(4-methoxyphenyl)-2,3-diphenylpyrazolo[1,5-a]pyrimidine;ethane (PubChem CID 142295561) has the molecular formula C28H26ClN3O2 and a molecular weight of 471.99 g/mol. Its IUPAC name is 5-chloro-7-methoxy-6-(4-methoxyphenyl)-2,3-diphenylpyrazolo[1,5-a]pyrimidine;ethane.

Molecular Properties

Compound Name5-chloro-7-methoxy-6-(4-methoxyphenyl)-2,3-diphenylpyrazolo[1,5-a]pyrimidine;ethane
PubChem CID142295561
Molecular FormulaC28H26ClN3O2
Molecular Weight471.99 g/mol
Exact Mass471.17
IUPAC Name5-chloro-7-methoxy-6-(4-methoxyphenyl)-2,3-diphenylpyrazolo[1,5-a]pyrimidine;ethane
SMILESCC.COc1ccc(-c2c(Cl)nc3c(-c4ccccc4)c(-c4ccccc4)nn3c2OC)cc1
InChIInChI=1S/C26H20ClN3O2.C2H6/c1-31-20-15-13-18(14-16-20)22-24(27)28-25-21(17-9-5-3-6-10-17)23(19-11-7-4-8-12-19)29-30(25)26(22)32-2;1-2/h3-16H,1-2H3;1-2H3
InChIKeyYAFBBYGNJJLRLR-UHFFFAOYSA-N
XLogP7.43
TPSA48.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.99
LogP ≤ 57.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-7-methoxy-6-(4-methoxyphenyl)-3-phenyl-2-pyridin-2-ylpyrazolo[1,5-a]pyrimidine;ethane
CID 142295566
3-[(E)-but-1-enyl]-5-chloro-7-methoxy-6-(4-methoxyphenyl)-2-phenylpyrazolo[1,5-a]pyrimidine
CID 134315433
7-methoxy-6-(4-methoxyphenyl)-2,3-diphenyl-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-amine
CID 134347336
3-methoxy-N-[7-methoxy-6-(4-methoxyphenyl)-2,3-diphenylpyrazolo[1,5-a]pyrimidin-5-yl]-1,2,4-thiadiazol-5-amine
CID 134307648
5,7-ditert-butyl-3-(4-methoxyphenyl)-2-phenylpyrazolo[1,5-a]pyrimidine
CID 11165871
2-(3-methoxyphenyl)-3-(4-methoxyphenyl)-5,6,7-trimethylpyrazolo[1,5-a]pyrimidine
CID 11222555
7-methoxy-6-(4-methoxyphenyl)-2,3-diphenyl-N-[1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]pyrazolo[1,5-a]pyrimidin-5-amine
CID 140853460
3-(cyclohexen-1-yl)-7-methoxy-6-(4-methoxyphenyl)-2-phenyl-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-amine;ethane
CID 142295584
3-(3-methoxyphenyl)-2-(4-methoxyphenyl)-5,7-diphenylpyrazolo[1,5-a]pyrimidine
CID 11488572
3-(cyclohexen-1-yl)-7-methoxy-6-(4-methoxyphenyl)-2-phenyl-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-5-amine
CID 134307264
methyl N-[4-(5,7-dichloro-2,3-diphenylpyrazolo[1,5-a]pyrimidin-6-yl)phenyl]ethanimidothioate
CID 134320241
4-[3-(cyclohexen-1-yl)-7-methoxy-6-(4-methoxyphenyl)-2-phenylpyrazolo[1,5-a]pyrimidin-5-yl]-1,2-oxazol-3-amine
CID 175783643

Frequently Asked Questions

What is the IUPAC name of 5-chloro-7-methoxy-6-(4-methoxyphenyl)-2,3-diphenylpyrazolo[1,5-a]pyrimidine;ethane?
The IUPAC name of 5-chloro-7-methoxy-6-(4-methoxyphenyl)-2,3-diphenylpyrazolo[1,5-a]pyrimidine;ethane (CID 142295561) is 5-chloro-7-methoxy-6-(4-methoxyphenyl)-2,3-diphenylpyrazolo[1,5-a]pyrimidine;ethane.
What is the SMILES notation for 5-chloro-7-methoxy-6-(4-methoxyphenyl)-2,3-diphenylpyrazolo[1,5-a]pyrimidine;ethane?
The canonical SMILES for 5-chloro-7-methoxy-6-(4-methoxyphenyl)-2,3-diphenylpyrazolo[1,5-a]pyrimidine;ethane is CC.COc1ccc(-c2c(Cl)nc3c(-c4ccccc4)c(-c4ccccc4)nn3c2OC)cc1.
What is the InChIKey of 5-chloro-7-methoxy-6-(4-methoxyphenyl)-2,3-diphenylpyrazolo[1,5-a]pyrimidine;ethane?
The InChIKey is YAFBBYGNJJLRLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20ClN3O2.C2H6/c1-31-20-15-13-18(14-16-20)22-24(27)28-25-21(17-9-5-3-6-10-17)23(19-11-7-4-8-12-19)29-30(25)26(22)32-2;1-2/h3-16H,1-2H3;1-2H3.
What are the key properties of 5-chloro-7-methoxy-6-(4-methoxyphenyl)-2,3-diphenylpyrazolo[1,5-a]pyrimidine;ethane?
5-chloro-7-methoxy-6-(4-methoxyphenyl)-2,3-diphenylpyrazolo[1,5-a]pyrimidine;ethane has a molecular weight of 471.99 g/mol, XLogP of 7.43, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-7-methoxy-6-(4-methoxyphenyl)-2,3-diphenylpyrazolo[1,5-a]pyrimidine;ethane is sourced from PubChem (CID 142295561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).