[1-[5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyrrolidin-2-yl]methanol

C18H20N4O — CID 45488262

IUPAC[1-[5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyrrolidin-2-yl]methanol
SMILESCc1ccc(-c2cc(N3CCCC3CO)n3nccc3n2)cc1
InChIInChI=1S/C18H20N4O/c1-13-4-6-14(7-5-13)16-11-18(21-10-2-3-15(21)12-23)22-17(20-16)8-9-19-22/h4-9,11,15,23H,2-3,10,12H2,1H3
InChIKeyCWYFDEYDWUQPLK-UHFFFAOYSA-N
MW308.39 g/mol
LogP2.67
Rot. Bonds3

About [1-[5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyrrolidin-2-yl]methanol

[1-[5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyrrolidin-2-yl]methanol (PubChem CID 45488262) has the molecular formula C18H20N4O and a molecular weight of 308.39 g/mol. Its IUPAC name is [1-[5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyrrolidin-2-yl]methanol
PubChem CID45488262
Molecular FormulaC18H20N4O
Molecular Weight308.39 g/mol
Exact Mass308.16
IUPAC Name[1-[5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyrrolidin-2-yl]methanol
SMILESCc1ccc(-c2cc(N3CCCC3CO)n3nccc3n2)cc1
InChIInChI=1S/C18H20N4O/c1-13-4-6-14(7-5-13)16-11-18(21-10-2-3-15(21)12-23)22-17(20-16)8-9-19-22/h4-9,11,15,23H,2-3,10,12H2,1H3
InChIKeyCWYFDEYDWUQPLK-UHFFFAOYSA-N
XLogP2.67
TPSA53.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyrrolidin-2-yl]methanol?
The IUPAC name of [1-[5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyrrolidin-2-yl]methanol (CID 45488262) is [1-[5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-[5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [1-[5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyrrolidin-2-yl]methanol is Cc1ccc(-c2cc(N3CCCC3CO)n3nccc3n2)cc1.
What is the InChIKey of [1-[5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyrrolidin-2-yl]methanol?
The InChIKey is CWYFDEYDWUQPLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c1-13-4-6-14(7-5-13)16-11-18(21-10-2-3-15(21)12-23)22-17(20-16)8-9-19-22/h4-9,11,15,23H,2-3,10,12H2,1H3.
What are the key properties of [1-[5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyrrolidin-2-yl]methanol?
[1-[5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyrrolidin-2-yl]methanol has a molecular weight of 308.39 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 45488262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).