7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine

C15H15N3O3 — CID 39312494

IUPAC7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine
SMILESCOc1cc(-c2ccnc3ccnn23)cc(OC)c1OC
InChIInChI=1S/C15H15N3O3/c1-19-12-8-10(9-13(20-2)15(12)21-3)11-4-6-16-14-5-7-17-18(11)14/h4-9H,1-3H3
InChIKeySPJVXIUIBYNHEH-UHFFFAOYSA-N
MW285.30 g/mol
LogP2.42
Rot. Bonds4

About 7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine

7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine (PubChem CID 39312494) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is 7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine
PubChem CID39312494
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine
SMILESCOc1cc(-c2ccnc3ccnn23)cc(OC)c1OC
InChIInChI=1S/C15H15N3O3/c1-19-12-8-10(9-13(20-2)15(12)21-3)11-4-6-16-14-5-7-17-18(11)14/h4-9H,1-3H3
InChIKeySPJVXIUIBYNHEH-UHFFFAOYSA-N
XLogP2.42
TPSA57.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-thiophen-2-yl-7-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 71708725
N-methyl-3-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 141119651
6-pyrazolo[1,5-a]pyrimidin-7-ylnaphthalen-2-ol
CID 166336559
6-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyridine
CID 150218840
1-methyl-4-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-b]pyridine
CID 70718302
7-(1H-indol-3-yl)-2-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine
CID 162667633
2-chloro-4-(3,4,5-trimethoxyphenyl)pyridine
CID 18674967
2-(1H-indol-5-yl)-5-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidine
CID 156775622
7-(methoxymethyl)pyrazolo[1,5-a]pyrimidine
CID 142675794
4-phenyl-6-(3,4,5-trimethoxyphenyl)-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaene
CID 134695234
3-(4-chlorophenyl)-7-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine
CID 56922227
[3-[7-(3,4-dimethoxy-5-methylsulfanylphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]indol-1-yl]methanol
CID 163565010

Frequently Asked Questions

What is the IUPAC name of 7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine (CID 39312494) is 7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine is COc1cc(-c2ccnc3ccnn23)cc(OC)c1OC.
What is the InChIKey of 7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is SPJVXIUIBYNHEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c1-19-12-8-10(9-13(20-2)15(12)21-3)11-4-6-16-14-5-7-17-18(11)14/h4-9H,1-3H3.
What are the key properties of 7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine?
7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 285.30 g/mol, XLogP of 2.42, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 39312494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).