3-[2-(2-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-6-yl]propan-1-ol

C16H17N3O2 — CID 16740487

IUPAC3-[2-(2-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-6-yl]propan-1-ol
SMILESCOc1ccccc1-c1cc2ncc(CCCO)cn2n1
InChIInChI=1S/C16H17N3O2/c1-21-15-7-3-2-6-13(15)14-9-16-17-10-12(5-4-8-20)11-19(16)18-14/h2-3,6-7,9-11,20H,4-5,8H2,1H3
InChIKeyLGNWANRSZWJPQT-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.33
Rot. Bonds5

About 3-[2-(2-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-6-yl]propan-1-ol

3-[2-(2-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-6-yl]propan-1-ol (PubChem CID 16740487) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 3-[2-(2-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-6-yl]propan-1-ol.

Molecular Properties

Compound Name3-[2-(2-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-6-yl]propan-1-ol
PubChem CID16740487
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name3-[2-(2-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-6-yl]propan-1-ol
SMILESCOc1ccccc1-c1cc2ncc(CCCO)cn2n1
InChIInChI=1S/C16H17N3O2/c1-21-15-7-3-2-6-13(15)14-9-16-17-10-12(5-4-8-20)11-19(16)18-14/h2-3,6-7,9-11,20H,4-5,8H2,1H3
InChIKeyLGNWANRSZWJPQT-UHFFFAOYSA-N
XLogP2.33
TPSA59.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-6-yl]propan-1-ol?
The IUPAC name of 3-[2-(2-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-6-yl]propan-1-ol (CID 16740487) is 3-[2-(2-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-6-yl]propan-1-ol.
What is the SMILES notation for 3-[2-(2-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-6-yl]propan-1-ol?
The canonical SMILES for 3-[2-(2-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-6-yl]propan-1-ol is COc1ccccc1-c1cc2ncc(CCCO)cn2n1.
What is the InChIKey of 3-[2-(2-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-6-yl]propan-1-ol?
The InChIKey is LGNWANRSZWJPQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-21-15-7-3-2-6-13(15)14-9-16-17-10-12(5-4-8-20)11-19(16)18-14/h2-3,6-7,9-11,20H,4-5,8H2,1H3.
What are the key properties of 3-[2-(2-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-6-yl]propan-1-ol?
3-[2-(2-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-6-yl]propan-1-ol has a molecular weight of 283.33 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-6-yl]propan-1-ol is sourced from PubChem (CID 16740487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).