2-[(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propan-1-ol

C13H20N4O — CID 56906125

IUPAC2-[(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propan-1-ol
SMILESCCc1cc(NC(C)CO)n2nc(C)c(C)c2n1
InChIInChI=1S/C13H20N4O/c1-5-11-6-12(14-8(2)7-18)17-13(15-11)9(3)10(4)16-17/h6,8,14,18H,5,7H2,1-4H3
InChIKeyJRHOPUBGYGBOEQ-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.70
Rot. Bonds4

About 2-[(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propan-1-ol

2-[(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propan-1-ol (PubChem CID 56906125) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-[(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propan-1-ol.

Molecular Properties

Compound Name2-[(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propan-1-ol
PubChem CID56906125
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name2-[(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propan-1-ol
SMILESCCc1cc(NC(C)CO)n2nc(C)c(C)c2n1
InChIInChI=1S/C13H20N4O/c1-5-11-6-12(14-8(2)7-18)17-13(15-11)9(3)10(4)16-17/h6,8,14,18H,5,7H2,1-4H3
InChIKeyJRHOPUBGYGBOEQ-UHFFFAOYSA-N
XLogP1.70
TPSA62.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(1R)-1-[(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]-1,4-dihydro-1,2,4-triazol-5-one
CID 136740178
5-ethyl-N-(1H-imidazol-2-ylmethyl)-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-amine
CID 70772919
4-[(1R)-2-[(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-1-hydroxyethyl]phenol
CID 95868851
(6R)-2-methyl-6-[(2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]heptan-2-ol
CID 95867432
N-cyclohexyl-3-[(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propanamide
CID 70717031
(4R)-1-cyclopropyl-4-[[(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]pyrrolidin-2-one
CID 95880768
1-(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)azetidin-3-ol
CID 70757938
5-ethyl-2,3-dimethyl-N-[[(3R)-piperidin-3-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 95868991
5-ethyl-2,3-dimethyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrazolo[1,5-a]pyrimidin-7-amine;dihydrochloride
CID 154894521
(4R)-4-[(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-1-propylpyrrolidin-2-one
CID 95875756
(3R)-3-phenyl-3-[(2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propan-1-ol
CID 95881167
(3S)-3-phenyl-3-[(2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propan-1-ol
CID 95881164

Frequently Asked Questions

What is the IUPAC name of 2-[(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propan-1-ol?
The IUPAC name of 2-[(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propan-1-ol (CID 56906125) is 2-[(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propan-1-ol.
What is the SMILES notation for 2-[(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propan-1-ol?
The canonical SMILES for 2-[(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propan-1-ol is CCc1cc(NC(C)CO)n2nc(C)c(C)c2n1.
What is the InChIKey of 2-[(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propan-1-ol?
The InChIKey is JRHOPUBGYGBOEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-5-11-6-12(14-8(2)7-18)17-13(15-11)9(3)10(4)16-17/h6,8,14,18H,5,7H2,1-4H3.
What are the key properties of 2-[(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propan-1-ol?
2-[(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propan-1-ol has a molecular weight of 248.33 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propan-1-ol is sourced from PubChem (CID 56906125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).