3-[methyl-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-1-phenylpropan-1-ol

C17H20N4O — CID 70706560

IUPAC3-[methyl-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-1-phenylpropan-1-ol
SMILESCc1cc(N(C)CCC(O)c2ccccc2)n2nccc2n1
InChIInChI=1S/C17H20N4O/c1-13-12-17(21-16(19-13)8-10-18-21)20(2)11-9-15(22)14-6-4-3-5-7-14/h3-8,10,12,15,22H,9,11H2,1-2H3
InChIKeyCCUVXOSMYPXLNO-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.60
Rot. Bonds5

About 3-[methyl-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-1-phenylpropan-1-ol

3-[methyl-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-1-phenylpropan-1-ol (PubChem CID 70706560) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is 3-[methyl-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-1-phenylpropan-1-ol.

Molecular Properties

Compound Name3-[methyl-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-1-phenylpropan-1-ol
PubChem CID70706560
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC Name3-[methyl-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-1-phenylpropan-1-ol
SMILESCc1cc(N(C)CCC(O)c2ccccc2)n2nccc2n1
InChIInChI=1S/C17H20N4O/c1-13-12-17(21-16(19-13)8-10-18-21)20(2)11-9-15(22)14-6-4-3-5-7-14/h3-8,10,12,15,22H,9,11H2,1-2H3
InChIKeyCCUVXOSMYPXLNO-UHFFFAOYSA-N
XLogP2.60
TPSA53.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[methyl-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-1-phenylpropan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[methyl-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-1-phenylpropan-1-ol?
The IUPAC name of 3-[methyl-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-1-phenylpropan-1-ol (CID 70706560) is 3-[methyl-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-1-phenylpropan-1-ol.
What is the SMILES notation for 3-[methyl-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-1-phenylpropan-1-ol?
The canonical SMILES for 3-[methyl-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-1-phenylpropan-1-ol is Cc1cc(N(C)CCC(O)c2ccccc2)n2nccc2n1.
What is the InChIKey of 3-[methyl-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-1-phenylpropan-1-ol?
The InChIKey is CCUVXOSMYPXLNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O/c1-13-12-17(21-16(19-13)8-10-18-21)20(2)11-9-15(22)14-6-4-3-5-7-14/h3-8,10,12,15,22H,9,11H2,1-2H3.
What are the key properties of 3-[methyl-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-1-phenylpropan-1-ol?
3-[methyl-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-1-phenylpropan-1-ol has a molecular weight of 296.37 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-1-phenylpropan-1-ol is sourced from PubChem (CID 70706560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).