[4-[[(2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]phenyl]methanol

C18H22N4O — CID 56901779

IUPAC[4-[[(2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]phenyl]methanol
SMILESCc1cc2nc(C(C)C)cc(NCc3ccc(CO)cc3)n2n1
InChIInChI=1S/C18H22N4O/c1-12(2)16-9-17(22-18(20-16)8-13(3)21-22)19-10-14-4-6-15(11-23)7-5-14/h4-9,12,19,23H,10-11H2,1-3H3
InChIKeyDYGJMZQYGGTGFG-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.27
Rot. Bonds5

About [4-[[(2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]phenyl]methanol

[4-[[(2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]phenyl]methanol (PubChem CID 56901779) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is [4-[[(2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[[(2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]phenyl]methanol
PubChem CID56901779
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC Name[4-[[(2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]phenyl]methanol
SMILESCc1cc2nc(C(C)C)cc(NCc3ccc(CO)cc3)n2n1
InChIInChI=1S/C18H22N4O/c1-12(2)16-9-17(22-18(20-16)8-13(3)21-22)19-10-14-4-6-15(11-23)7-5-14/h4-9,12,19,23H,10-11H2,1-3H3
InChIKeyDYGJMZQYGGTGFG-UHFFFAOYSA-N
XLogP3.27
TPSA62.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[[(2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]phenyl]methanol?
The IUPAC name of [4-[[(2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]phenyl]methanol (CID 56901779) is [4-[[(2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]phenyl]methanol.
What is the SMILES notation for [4-[[(2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]phenyl]methanol?
The canonical SMILES for [4-[[(2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]phenyl]methanol is Cc1cc2nc(C(C)C)cc(NCc3ccc(CO)cc3)n2n1.
What is the InChIKey of [4-[[(2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]phenyl]methanol?
The InChIKey is DYGJMZQYGGTGFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c1-12(2)16-9-17(22-18(20-16)8-13(3)21-22)19-10-14-4-6-15(11-23)7-5-14/h4-9,12,19,23H,10-11H2,1-3H3.
What are the key properties of [4-[[(2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]phenyl]methanol?
[4-[[(2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]phenyl]methanol has a molecular weight of 310.40 g/mol, XLogP of 3.27, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[(2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]phenyl]methanol is sourced from PubChem (CID 56901779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).