1-[2-amino-5-(2-ethyl-3-azabicyclo[3.1.0]hexan-3-yl)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone

C15H19N5O — CID 167251698

IUPAC1-[2-amino-5-(2-ethyl-3-azabicyclo[3.1.0]hexan-3-yl)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone
SMILESCCC1C2CC2CN1c1ccn2nc(N)c(C(C)=O)c2n1
InChIInChI=1S/C15H19N5O/c1-3-11-10-6-9(10)7-19(11)12-4-5-20-15(17-12)13(8(2)21)14(16)18-20/h4-5,9-11H,3,6-7H2,1-2H3,(H2,16,18)
InChIKeyZCFUWBHZERROCB-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.75
Rot. Bonds3

About 1-[2-amino-5-(2-ethyl-3-azabicyclo[3.1.0]hexan-3-yl)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone

1-[2-amino-5-(2-ethyl-3-azabicyclo[3.1.0]hexan-3-yl)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone (PubChem CID 167251698) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is 1-[2-amino-5-(2-ethyl-3-azabicyclo[3.1.0]hexan-3-yl)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone.

Molecular Properties

Compound Name1-[2-amino-5-(2-ethyl-3-azabicyclo[3.1.0]hexan-3-yl)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone
PubChem CID167251698
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC Name1-[2-amino-5-(2-ethyl-3-azabicyclo[3.1.0]hexan-3-yl)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone
SMILESCCC1C2CC2CN1c1ccn2nc(N)c(C(C)=O)c2n1
InChIInChI=1S/C15H19N5O/c1-3-11-10-6-9(10)7-19(11)12-4-5-20-15(17-12)13(8(2)21)14(16)18-20/h4-5,9-11H,3,6-7H2,1-2H3,(H2,16,18)
InChIKeyZCFUWBHZERROCB-UHFFFAOYSA-N
XLogP1.75
TPSA76.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-amino-5-[2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 134480577
2-amino-5-(3-phosphanylpyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 139455236
2-amino-5-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 134480543
2-amino-5-(3-fluoropyrrolidin-1-yl)-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;1,4-difluorobenzene
CID 142335517
2-amino-5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N,N-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 139449662
2-amino-5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[2-(dimethylamino)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 139449642
2-amino-5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[2-(dimethylamino)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 134480328
ethyl 5-[(4S)-2-(2,5-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 162059591
2-amino-N-(2-hydroxyethoxy)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 166763835
fluoro 2-amino-5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 166763914
2-amino-N-(4-hydroxycyclohexyl)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 134480286
ethyl 5-[2-(3-fluorophenyl)-3-azabicyclo[3.1.0]hexan-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 56944945

Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-5-(2-ethyl-3-azabicyclo[3.1.0]hexan-3-yl)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone?
The IUPAC name of 1-[2-amino-5-(2-ethyl-3-azabicyclo[3.1.0]hexan-3-yl)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone (CID 167251698) is 1-[2-amino-5-(2-ethyl-3-azabicyclo[3.1.0]hexan-3-yl)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone.
What is the SMILES notation for 1-[2-amino-5-(2-ethyl-3-azabicyclo[3.1.0]hexan-3-yl)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone?
The canonical SMILES for 1-[2-amino-5-(2-ethyl-3-azabicyclo[3.1.0]hexan-3-yl)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone is CCC1C2CC2CN1c1ccn2nc(N)c(C(C)=O)c2n1.
What is the InChIKey of 1-[2-amino-5-(2-ethyl-3-azabicyclo[3.1.0]hexan-3-yl)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone?
The InChIKey is ZCFUWBHZERROCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O/c1-3-11-10-6-9(10)7-19(11)12-4-5-20-15(17-12)13(8(2)21)14(16)18-20/h4-5,9-11H,3,6-7H2,1-2H3,(H2,16,18).
What are the key properties of 1-[2-amino-5-(2-ethyl-3-azabicyclo[3.1.0]hexan-3-yl)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone?
1-[2-amino-5-(2-ethyl-3-azabicyclo[3.1.0]hexan-3-yl)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone has a molecular weight of 285.35 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-5-(2-ethyl-3-azabicyclo[3.1.0]hexan-3-yl)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone is sourced from PubChem (CID 167251698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).