3-(3-methoxyphenyl)-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine

C20H17N3O2 — CID 11370947

IUPAC3-(3-methoxyphenyl)-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine
SMILESCOc1ccc(-c2nn3cccnc3c2-c2cccc(OC)c2)cc1
InChIInChI=1S/C20H17N3O2/c1-24-16-9-7-14(8-10-16)19-18(15-5-3-6-17(13-15)25-2)20-21-11-4-12-23(20)22-19/h3-13H,1-2H3
InChIKeyNGLOPVFWIMZWLZ-UHFFFAOYSA-N
MW331.38 g/mol
LogP4.08
Rot. Bonds4

About 3-(3-methoxyphenyl)-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine

3-(3-methoxyphenyl)-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine (PubChem CID 11370947) has the molecular formula C20H17N3O2 and a molecular weight of 331.38 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine
PubChem CID11370947
Molecular FormulaC20H17N3O2
Molecular Weight331.38 g/mol
Exact Mass331.13
IUPAC Name3-(3-methoxyphenyl)-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine
SMILESCOc1ccc(-c2nn3cccnc3c2-c2cccc(OC)c2)cc1
InChIInChI=1S/C20H17N3O2/c1-24-16-9-7-14(8-10-16)19-18(15-5-3-6-17(13-15)25-2)20-21-11-4-12-23(20)22-19/h3-13H,1-2H3
InChIKeyNGLOPVFWIMZWLZ-UHFFFAOYSA-N
XLogP4.08
TPSA48.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carbaldehyde
CID 82271855
3-(3-methoxyphenyl)-2-(4-methoxyphenyl)-5,7-diphenylpyrazolo[1,5-a]pyrimidine
CID 11488572
3-(3-methoxyphenyl)-2-(4-methoxyphenyl)-5,7-di(propan-2-yl)pyrazolo[1,5-a]pyrimidine
CID 11373375
2-(3-methoxyphenyl)-3-(4-methoxyphenyl)-5,6,7-trimethylpyrazolo[1,5-a]pyrimidine
CID 11222555
2-[2-(3,5-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]acetonitrile
CID 82272140
3-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine
CID 71150900
8-bromo-2-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 117137616
1-methoxy-3-[4-(4-methoxyphenyl)phenyl]benzene
CID 25138852
8-(3-methoxyphenyl)-N-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 44554489
2-(3-ethoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 82271897
1-methoxy-4-[3-(3-methoxyphenyl)phenyl]benzene
CID 66934064
2,3,5,6-tetrakis(3-methoxyphenyl)pyrazine
CID 132941107

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 3-(3-methoxyphenyl)-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine (CID 11370947) is 3-(3-methoxyphenyl)-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 3-(3-methoxyphenyl)-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 3-(3-methoxyphenyl)-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine is COc1ccc(-c2nn3cccnc3c2-c2cccc(OC)c2)cc1.
What is the InChIKey of 3-(3-methoxyphenyl)-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is NGLOPVFWIMZWLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O2/c1-24-16-9-7-14(8-10-16)19-18(15-5-3-6-17(13-15)25-2)20-21-11-4-12-23(20)22-19/h3-13H,1-2H3.
What are the key properties of 3-(3-methoxyphenyl)-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine?
3-(3-methoxyphenyl)-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 331.38 g/mol, XLogP of 4.08, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 11370947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).