2-[3-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]phenol

C20H17N3O3 — CID 3782029

IUPAC2-[3-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]phenol
SMILESCOc1ccc(-c2cnn3ccc(-c4ccccc4O)nc23)cc1OC
InChIInChI=1S/C20H17N3O3/c1-25-18-8-7-13(11-19(18)26-2)15-12-21-23-10-9-16(22-20(15)23)14-5-3-4-6-17(14)24/h3-12,24H,1-2H3
InChIKeySAOSKEQDVBMJSI-UHFFFAOYSA-N
MW347.37 g/mol
LogP3.79
Rot. Bonds4

About 2-[3-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]phenol

2-[3-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]phenol (PubChem CID 3782029) has the molecular formula C20H17N3O3 and a molecular weight of 347.37 g/mol. Its IUPAC name is 2-[3-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]phenol.

Molecular Properties

Compound Name2-[3-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]phenol
PubChem CID3782029
Molecular FormulaC20H17N3O3
Molecular Weight347.37 g/mol
Exact Mass347.13
IUPAC Name2-[3-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]phenol
SMILESCOc1ccc(-c2cnn3ccc(-c4ccccc4O)nc23)cc1OC
InChIInChI=1S/C20H17N3O3/c1-25-18-8-7-13(11-19(18)26-2)15-12-21-23-10-9-16(22-20(15)23)14-5-3-4-6-17(14)24/h3-12,24H,1-2H3
InChIKeySAOSKEQDVBMJSI-UHFFFAOYSA-N
XLogP3.79
TPSA68.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]phenol?
The IUPAC name of 2-[3-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]phenol (CID 3782029) is 2-[3-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]phenol.
What is the SMILES notation for 2-[3-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]phenol?
The canonical SMILES for 2-[3-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]phenol is COc1ccc(-c2cnn3ccc(-c4ccccc4O)nc23)cc1OC.
What is the InChIKey of 2-[3-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]phenol?
The InChIKey is SAOSKEQDVBMJSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O3/c1-25-18-8-7-13(11-19(18)26-2)15-12-21-23-10-9-16(22-20(15)23)14-5-3-4-6-17(14)24/h3-12,24H,1-2H3.
What are the key properties of 2-[3-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]phenol?
2-[3-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]phenol has a molecular weight of 347.37 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]phenol is sourced from PubChem (CID 3782029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).