[4-[[(5-propylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]phenyl]methanol

C17H20N4O — CID 56900111

IUPAC[4-[[(5-propylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]phenyl]methanol
SMILESCCCc1cc(NCc2ccc(CO)cc2)n2nccc2n1
InChIInChI=1S/C17H20N4O/c1-2-3-15-10-17(21-16(20-15)8-9-19-21)18-11-13-4-6-14(12-22)7-5-13/h4-10,18,22H,2-3,11-12H2,1H3
InChIKeyHLCZXXSNYCROFM-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.79
Rot. Bonds6

About [4-[[(5-propylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]phenyl]methanol

[4-[[(5-propylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]phenyl]methanol (PubChem CID 56900111) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is [4-[[(5-propylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[[(5-propylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]phenyl]methanol
PubChem CID56900111
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC Name[4-[[(5-propylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]phenyl]methanol
SMILESCCCc1cc(NCc2ccc(CO)cc2)n2nccc2n1
InChIInChI=1S/C17H20N4O/c1-2-3-15-10-17(21-16(20-15)8-9-19-21)18-11-13-4-6-14(12-22)7-5-13/h4-10,18,22H,2-3,11-12H2,1H3
InChIKeyHLCZXXSNYCROFM-UHFFFAOYSA-N
XLogP2.79
TPSA62.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[[(5-propylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]phenyl]methanol?
The IUPAC name of [4-[[(5-propylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]phenyl]methanol (CID 56900111) is [4-[[(5-propylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]phenyl]methanol.
What is the SMILES notation for [4-[[(5-propylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]phenyl]methanol?
The canonical SMILES for [4-[[(5-propylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]phenyl]methanol is CCCc1cc(NCc2ccc(CO)cc2)n2nccc2n1.
What is the InChIKey of [4-[[(5-propylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]phenyl]methanol?
The InChIKey is HLCZXXSNYCROFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O/c1-2-3-15-10-17(21-16(20-15)8-9-19-21)18-11-13-4-6-14(12-22)7-5-13/h4-10,18,22H,2-3,11-12H2,1H3.
What are the key properties of [4-[[(5-propylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]phenyl]methanol?
[4-[[(5-propylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]phenyl]methanol has a molecular weight of 296.37 g/mol, XLogP of 2.79, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[(5-propylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]phenyl]methanol is sourced from PubChem (CID 56900111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).