3-(3-methoxyphenyl)-2-(4-methoxyphenyl)-5,7-di(propan-2-yl)pyrazolo[1,5-a]pyrimidine

C26H29N3O2 — CID 11373375

IUPAC3-(3-methoxyphenyl)-2-(4-methoxyphenyl)-5,7-di(propan-2-yl)pyrazolo[1,5-a]pyrimidine
SMILESCOc1ccc(-c2nn3c(C(C)C)cc(C(C)C)nc3c2-c2cccc(OC)c2)cc1
InChIInChI=1S/C26H29N3O2/c1-16(2)22-15-23(17(3)4)29-26(27-22)24(19-8-7-9-21(14-19)31-6)25(28-29)18-10-12-20(30-5)13-11-18/h7-17H,1-6H3
InChIKeyQFYQMKJDWCLFQP-UHFFFAOYSA-N
MW415.54 g/mol
LogP6.33
Rot. Bonds6

About 3-(3-methoxyphenyl)-2-(4-methoxyphenyl)-5,7-di(propan-2-yl)pyrazolo[1,5-a]pyrimidine

3-(3-methoxyphenyl)-2-(4-methoxyphenyl)-5,7-di(propan-2-yl)pyrazolo[1,5-a]pyrimidine (PubChem CID 11373375) has the molecular formula C26H29N3O2 and a molecular weight of 415.54 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-2-(4-methoxyphenyl)-5,7-di(propan-2-yl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-2-(4-methoxyphenyl)-5,7-di(propan-2-yl)pyrazolo[1,5-a]pyrimidine
PubChem CID11373375
Molecular FormulaC26H29N3O2
Molecular Weight415.54 g/mol
Exact Mass415.23
IUPAC Name3-(3-methoxyphenyl)-2-(4-methoxyphenyl)-5,7-di(propan-2-yl)pyrazolo[1,5-a]pyrimidine
SMILESCOc1ccc(-c2nn3c(C(C)C)cc(C(C)C)nc3c2-c2cccc(OC)c2)cc1
InChIInChI=1S/C26H29N3O2/c1-16(2)22-15-23(17(3)4)29-26(27-22)24(19-8-7-9-21(14-19)31-6)25(28-29)18-10-12-20(30-5)13-11-18/h7-17H,1-6H3
InChIKeyQFYQMKJDWCLFQP-UHFFFAOYSA-N
XLogP6.33
TPSA48.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.54
LogP ≤ 56.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-methoxyphenyl)-2-(4-methoxyphenyl)-5,7-diphenylpyrazolo[1,5-a]pyrimidine
CID 11488572
2-(3-methoxyphenyl)-3-(4-methoxyphenyl)-5,6,7-trimethylpyrazolo[1,5-a]pyrimidine
CID 11222555
N,N-diethyl-2-[2-(4-methoxyphenyl)-5,7-di(propan-2-yl)pyrazolo[1,5-a]pyrimidin-3-yl]acetamide
CID 71717048
3-(3-methoxyphenyl)-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine
CID 11370947
5-chloro-7-methoxy-6-(4-methoxyphenyl)-2,3-diphenylpyrazolo[1,5-a]pyrimidine;ethane
CID 142295561
5,7-ditert-butyl-3-(4-methoxyphenyl)-2-phenylpyrazolo[1,5-a]pyrimidine
CID 11165871
1-methoxy-3-[4-(4-methoxyphenyl)phenyl]benzene
CID 25138852
1-methoxy-4-[3-(3-methoxyphenyl)phenyl]benzene
CID 66934064
2,3,5,6-tetrakis(3-methoxyphenyl)pyrazine
CID 132941107
4-(3-methoxyphenyl)-2-(6-propan-2-yl-2-pyridinyl)quinazoline
CID 67699971
4-methoxy-2-phenyl-1-propan-2-ylbenzene
CID 118344819
4-chloro-6-(3-methoxyphenyl)-5-methyl-2-propan-2-ylpyrimidine
CID 80975932

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-2-(4-methoxyphenyl)-5,7-di(propan-2-yl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 3-(3-methoxyphenyl)-2-(4-methoxyphenyl)-5,7-di(propan-2-yl)pyrazolo[1,5-a]pyrimidine (CID 11373375) is 3-(3-methoxyphenyl)-2-(4-methoxyphenyl)-5,7-di(propan-2-yl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 3-(3-methoxyphenyl)-2-(4-methoxyphenyl)-5,7-di(propan-2-yl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 3-(3-methoxyphenyl)-2-(4-methoxyphenyl)-5,7-di(propan-2-yl)pyrazolo[1,5-a]pyrimidine is COc1ccc(-c2nn3c(C(C)C)cc(C(C)C)nc3c2-c2cccc(OC)c2)cc1.
What is the InChIKey of 3-(3-methoxyphenyl)-2-(4-methoxyphenyl)-5,7-di(propan-2-yl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is QFYQMKJDWCLFQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O2/c1-16(2)22-15-23(17(3)4)29-26(27-22)24(19-8-7-9-21(14-19)31-6)25(28-29)18-10-12-20(30-5)13-11-18/h7-17H,1-6H3.
What are the key properties of 3-(3-methoxyphenyl)-2-(4-methoxyphenyl)-5,7-di(propan-2-yl)pyrazolo[1,5-a]pyrimidine?
3-(3-methoxyphenyl)-2-(4-methoxyphenyl)-5,7-di(propan-2-yl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 415.54 g/mol, XLogP of 6.33, 6 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)-5,7-di(propan-2-yl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 11373375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).