2-(4-methoxyphenyl)-1-[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propan-2-ol

C19H24N4O2 — CID 56899989

IUPAC2-(4-methoxyphenyl)-1-[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propan-2-ol
SMILESCOc1ccc(C(C)(O)CNc2cc(C(C)C)nc3ccnn23)cc1
InChIInChI=1S/C19H24N4O2/c1-13(2)16-11-18(23-17(22-16)9-10-21-23)20-12-19(3,24)14-5-7-15(25-4)8-6-14/h5-11,13,20,24H,12H2,1-4H3
InChIKeyGWNZLQLFYZXNHP-UHFFFAOYSA-N
MW340.43 g/mol
LogP3.18
Rot. Bonds6

About 2-(4-methoxyphenyl)-1-[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propan-2-ol

2-(4-methoxyphenyl)-1-[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propan-2-ol (PubChem CID 56899989) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-1-[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propan-2-ol.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-1-[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propan-2-ol
PubChem CID56899989
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name2-(4-methoxyphenyl)-1-[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propan-2-ol
SMILESCOc1ccc(C(C)(O)CNc2cc(C(C)C)nc3ccnn23)cc1
InChIInChI=1S/C19H24N4O2/c1-13(2)16-11-18(23-17(22-16)9-10-21-23)20-12-19(3,24)14-5-7-15(25-4)8-6-14/h5-11,13,20,24H,12H2,1-4H3
InChIKeyGWNZLQLFYZXNHP-UHFFFAOYSA-N
XLogP3.18
TPSA71.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-1-[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propan-2-ol?
The IUPAC name of 2-(4-methoxyphenyl)-1-[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propan-2-ol (CID 56899989) is 2-(4-methoxyphenyl)-1-[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propan-2-ol.
What is the SMILES notation for 2-(4-methoxyphenyl)-1-[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propan-2-ol?
The canonical SMILES for 2-(4-methoxyphenyl)-1-[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propan-2-ol is COc1ccc(C(C)(O)CNc2cc(C(C)C)nc3ccnn23)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-1-[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propan-2-ol?
The InChIKey is GWNZLQLFYZXNHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-13(2)16-11-18(23-17(22-16)9-10-21-23)20-12-19(3,24)14-5-7-15(25-4)8-6-14/h5-11,13,20,24H,12H2,1-4H3.
What are the key properties of 2-(4-methoxyphenyl)-1-[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propan-2-ol?
2-(4-methoxyphenyl)-1-[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propan-2-ol has a molecular weight of 340.43 g/mol, XLogP of 3.18, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-1-[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propan-2-ol is sourced from PubChem (CID 56899989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).