3-phenyl-3-[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propan-1-ol

C18H22N4O — CID 70767301

IUPAC3-phenyl-3-[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propan-1-ol
SMILESCC(C)c1cc(NC(CCO)c2ccccc2)n2nccc2n1
InChIInChI=1S/C18H22N4O/c1-13(2)16-12-18(22-17(21-16)8-10-19-22)20-15(9-11-23)14-6-4-3-5-7-14/h3-8,10,12-13,15,20,23H,9,11H2,1-2H3
InChIKeyFYRQKEIIHUPKIC-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.39
Rot. Bonds6

About 3-phenyl-3-[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propan-1-ol

3-phenyl-3-[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propan-1-ol (PubChem CID 70767301) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is 3-phenyl-3-[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propan-1-ol.

Molecular Properties

Compound Name3-phenyl-3-[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propan-1-ol
PubChem CID70767301
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC Name3-phenyl-3-[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propan-1-ol
SMILESCC(C)c1cc(NC(CCO)c2ccccc2)n2nccc2n1
InChIInChI=1S/C18H22N4O/c1-13(2)16-12-18(22-17(21-16)8-10-19-22)20-15(9-11-23)14-6-4-3-5-7-14/h3-8,10,12-13,15,20,23H,9,11H2,1-2H3
InChIKeyFYRQKEIIHUPKIC-UHFFFAOYSA-N
XLogP3.39
TPSA62.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-phenyl-3-[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propan-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-phenyl-3-[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propan-1-ol?
The IUPAC name of 3-phenyl-3-[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propan-1-ol (CID 70767301) is 3-phenyl-3-[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propan-1-ol.
What is the SMILES notation for 3-phenyl-3-[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propan-1-ol?
The canonical SMILES for 3-phenyl-3-[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propan-1-ol is CC(C)c1cc(NC(CCO)c2ccccc2)n2nccc2n1.
What is the InChIKey of 3-phenyl-3-[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propan-1-ol?
The InChIKey is FYRQKEIIHUPKIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c1-13(2)16-12-18(22-17(21-16)8-10-19-22)20-15(9-11-23)14-6-4-3-5-7-14/h3-8,10,12-13,15,20,23H,9,11H2,1-2H3.
What are the key properties of 3-phenyl-3-[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propan-1-ol?
3-phenyl-3-[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propan-1-ol has a molecular weight of 310.40 g/mol, XLogP of 3.39, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-3-[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propan-1-ol is sourced from PubChem (CID 70767301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).