2-[7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]-1-[4-(2-hydroxypropan-2-yl)phenyl]ethanone

C20H22N4O2 — CID 58207084

IUPAC2-[7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]-1-[4-(2-hydroxypropan-2-yl)phenyl]ethanone
SMILESCC(C)(O)c1ccc(C(=O)Cc2cc(NC3CC3)n3nccc3n2)cc1
InChIInChI=1S/C20H22N4O2/c1-20(2,26)14-5-3-13(4-6-14)17(25)11-16-12-19(22-15-7-8-15)24-18(23-16)9-10-21-24/h3-6,9-10,12,15,22,26H,7-8,11H2,1-2H3
InChIKeyCHRNAZVUSCWQLJ-UHFFFAOYSA-N
MW350.42 g/mol
LogP2.96
Rot. Bonds6

About 2-[7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]-1-[4-(2-hydroxypropan-2-yl)phenyl]ethanone

2-[7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]-1-[4-(2-hydroxypropan-2-yl)phenyl]ethanone (PubChem CID 58207084) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 2-[7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]-1-[4-(2-hydroxypropan-2-yl)phenyl]ethanone.

Molecular Properties

Compound Name2-[7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]-1-[4-(2-hydroxypropan-2-yl)phenyl]ethanone
PubChem CID58207084
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name2-[7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]-1-[4-(2-hydroxypropan-2-yl)phenyl]ethanone
SMILESCC(C)(O)c1ccc(C(=O)Cc2cc(NC3CC3)n3nccc3n2)cc1
InChIInChI=1S/C20H22N4O2/c1-20(2,26)14-5-3-13(4-6-14)17(25)11-16-12-19(22-15-7-8-15)24-18(23-16)9-10-21-24/h3-6,9-10,12,15,22,26H,7-8,11H2,1-2H3
InChIKeyCHRNAZVUSCWQLJ-UHFFFAOYSA-N
XLogP2.96
TPSA79.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]-1-[4-(2-hydroxypropan-2-yl)phenyl]ethanone with MolForge

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Related Compounds

2-[7-(3,5-dimethylpiperidin-1-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-1-[4-(2-hydroxypropan-2-yl)phenyl]ethanone
CID 58206974
2-[7-(3-fluoropyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-1-[4-(2-hydroxypropan-2-yl)phenyl]ethanone
CID 58207103
1-(4-tert-butylphenyl)-2-[7-(pentan-3-ylamino)pyrazolo[1,5-a]pyrimidin-5-yl]ethanone
CID 58207211
2-[7-(benzylamino)pyrazolo[1,5-a]pyrimidin-5-yl]-1-(4-tert-butylphenyl)ethanone
CID 58206993
1-[4-(2-hydroxypropan-2-yl)phenyl]-2-[7-[4-(methoxymethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-5-yl]ethanone
CID 58207030
2-[7-(2,3-dihydro-1-benzofuran-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-1-[4-(2-hydroxypropan-2-yl)phenyl]ethanone
CID 58207168
1-[4-(2-hydroxypropan-2-yl)phenyl]-2-[7-[(E)-2-phenylethenyl]pyrazolo[1,5-a]pyrimidin-5-yl]ethanone
CID 58207171
1-(4-tert-butylphenyl)-2-[7-[(4-methoxyphenyl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]ethanone
CID 58207266
1-(4-tert-butylphenyl)-2-[7-[2-(4-hydroxyphenyl)ethylamino]pyrazolo[1,5-a]pyrimidin-5-yl]ethanone
CID 58206892
4-[5-[2-[4-(2-hydroxypropan-2-yl)phenyl]-2-oxoethyl]pyrazolo[1,5-a]pyrimidin-7-yl]-1,4-diazepane-1-carbaldehyde
CID 58206908
1-(4-tert-butylphenyl)-2-[7-(4-tert-butylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]ethanone
CID 58207087
1-(4-tert-butylphenyl)-2-[7-(3-imidazol-1-ylpropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]ethanone
CID 58207195

Frequently Asked Questions

What is the IUPAC name of 2-[7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]-1-[4-(2-hydroxypropan-2-yl)phenyl]ethanone?
The IUPAC name of 2-[7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]-1-[4-(2-hydroxypropan-2-yl)phenyl]ethanone (CID 58207084) is 2-[7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]-1-[4-(2-hydroxypropan-2-yl)phenyl]ethanone.
What is the SMILES notation for 2-[7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]-1-[4-(2-hydroxypropan-2-yl)phenyl]ethanone?
The canonical SMILES for 2-[7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]-1-[4-(2-hydroxypropan-2-yl)phenyl]ethanone is CC(C)(O)c1ccc(C(=O)Cc2cc(NC3CC3)n3nccc3n2)cc1.
What is the InChIKey of 2-[7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]-1-[4-(2-hydroxypropan-2-yl)phenyl]ethanone?
The InChIKey is CHRNAZVUSCWQLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-20(2,26)14-5-3-13(4-6-14)17(25)11-16-12-19(22-15-7-8-15)24-18(23-16)9-10-21-24/h3-6,9-10,12,15,22,26H,7-8,11H2,1-2H3.
What are the key properties of 2-[7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]-1-[4-(2-hydroxypropan-2-yl)phenyl]ethanone?
2-[7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]-1-[4-(2-hydroxypropan-2-yl)phenyl]ethanone has a molecular weight of 350.42 g/mol, XLogP of 2.96, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]-1-[4-(2-hydroxypropan-2-yl)phenyl]ethanone is sourced from PubChem (CID 58207084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).