3-[2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-6-yl]propan-1-ol

C16H17N3O — CID 44577864

IUPAC3-[2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-6-yl]propan-1-ol
SMILESCc1ccc(-c2cc3ncc(CCCO)cn3n2)cc1
InChIInChI=1S/C16H17N3O/c1-12-4-6-14(7-5-12)15-9-16-17-10-13(3-2-8-20)11-19(16)18-15/h4-7,9-11,20H,2-3,8H2,1H3
InChIKeyRANBHCMNMCVSDU-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.63
Rot. Bonds4

About 3-[2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-6-yl]propan-1-ol

3-[2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-6-yl]propan-1-ol (PubChem CID 44577864) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is 3-[2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-6-yl]propan-1-ol.

Molecular Properties

Compound Name3-[2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-6-yl]propan-1-ol
PubChem CID44577864
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name3-[2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-6-yl]propan-1-ol
SMILESCc1ccc(-c2cc3ncc(CCCO)cn3n2)cc1
InChIInChI=1S/C16H17N3O/c1-12-4-6-14(7-5-12)15-9-16-17-10-13(3-2-8-20)11-19(16)18-15/h4-7,9-11,20H,2-3,8H2,1H3
InChIKeyRANBHCMNMCVSDU-UHFFFAOYSA-N
XLogP2.63
TPSA50.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-6-yl]propan-1-ol?
The IUPAC name of 3-[2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-6-yl]propan-1-ol (CID 44577864) is 3-[2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-6-yl]propan-1-ol.
What is the SMILES notation for 3-[2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-6-yl]propan-1-ol?
The canonical SMILES for 3-[2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-6-yl]propan-1-ol is Cc1ccc(-c2cc3ncc(CCCO)cn3n2)cc1.
What is the InChIKey of 3-[2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-6-yl]propan-1-ol?
The InChIKey is RANBHCMNMCVSDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-12-4-6-14(7-5-12)15-9-16-17-10-13(3-2-8-20)11-19(16)18-15/h4-7,9-11,20H,2-3,8H2,1H3.
What are the key properties of 3-[2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-6-yl]propan-1-ol?
3-[2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-6-yl]propan-1-ol has a molecular weight of 267.33 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-6-yl]propan-1-ol is sourced from PubChem (CID 44577864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).