2-[[2-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]butan-1-ol

C19H24N4O4 — CID 46948564

IUPAC2-[[2-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]butan-1-ol
SMILESCCC(CO)Nc1ccn2nc(-c3cc(OC)c(OC)c(OC)c3)cc2n1
InChIInChI=1S/C19H24N4O4/c1-5-13(11-24)20-17-6-7-23-18(21-17)10-14(22-23)12-8-15(25-2)19(27-4)16(9-12)26-3/h6-10,13,24H,5,11H2,1-4H3,(H,20,21)
InChIKeyBBSXOGXVZJOBKU-UHFFFAOYSA-N
MW372.43 g/mol
LogP2.60
Rot. Bonds8

About 2-[[2-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]butan-1-ol

2-[[2-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]butan-1-ol (PubChem CID 46948564) has the molecular formula C19H24N4O4 and a molecular weight of 372.43 g/mol. Its IUPAC name is 2-[[2-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]butan-1-ol.

Molecular Properties

Compound Name2-[[2-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]butan-1-ol
PubChem CID46948564
Molecular FormulaC19H24N4O4
Molecular Weight372.43 g/mol
Exact Mass372.18
IUPAC Name2-[[2-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]butan-1-ol
SMILESCCC(CO)Nc1ccn2nc(-c3cc(OC)c(OC)c(OC)c3)cc2n1
InChIInChI=1S/C19H24N4O4/c1-5-13(11-24)20-17-6-7-23-18(21-17)10-14(22-23)12-8-15(25-2)19(27-4)16(9-12)26-3/h6-10,13,24H,5,11H2,1-4H3,(H,20,21)
InChIKeyBBSXOGXVZJOBKU-UHFFFAOYSA-N
XLogP2.60
TPSA90.14 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]butan-1-ol?
The IUPAC name of 2-[[2-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]butan-1-ol (CID 46948564) is 2-[[2-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]butan-1-ol.
What is the SMILES notation for 2-[[2-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]butan-1-ol?
The canonical SMILES for 2-[[2-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]butan-1-ol is CCC(CO)Nc1ccn2nc(-c3cc(OC)c(OC)c(OC)c3)cc2n1.
What is the InChIKey of 2-[[2-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]butan-1-ol?
The InChIKey is BBSXOGXVZJOBKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O4/c1-5-13(11-24)20-17-6-7-23-18(21-17)10-14(22-23)12-8-15(25-2)19(27-4)16(9-12)26-3/h6-10,13,24H,5,11H2,1-4H3,(H,20,21).
What are the key properties of 2-[[2-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]butan-1-ol?
2-[[2-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]butan-1-ol has a molecular weight of 372.43 g/mol, XLogP of 2.60, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]butan-1-ol is sourced from PubChem (CID 46948564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).