ethane;1-pyrazolo[1,5-a]pyrimidin-3-ylethanone

C10H13N3O — CID 91104664

IUPACethane;1-pyrazolo[1,5-a]pyrimidin-3-ylethanone
SMILESCC.CC(=O)c1cnn2cccnc12
InChIInChI=1S/C8H7N3O.C2H6/c1-6(12)7-5-10-11-4-2-3-9-8(7)11;1-2/h2-5H,1H3;1-2H3
InChIKeyGXFVJLSLLIVUTI-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.96
Rot. Bonds1

About ethane;1-pyrazolo[1,5-a]pyrimidin-3-ylethanone

ethane;1-pyrazolo[1,5-a]pyrimidin-3-ylethanone (PubChem CID 91104664) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is ethane;1-pyrazolo[1,5-a]pyrimidin-3-ylethanone.

Molecular Properties

Compound Nameethane;1-pyrazolo[1,5-a]pyrimidin-3-ylethanone
PubChem CID91104664
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Nameethane;1-pyrazolo[1,5-a]pyrimidin-3-ylethanone
SMILESCC.CC(=O)c1cnn2cccnc12
InChIInChI=1S/C8H7N3O.C2H6/c1-6(12)7-5-10-11-4-2-3-9-8(7)11;1-2/h2-5H,1H3;1-2H3
InChIKeyGXFVJLSLLIVUTI-UHFFFAOYSA-N
XLogP1.96
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 1256529
N-(3-acetylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 4151653
N-(2-methylpropanoyl)pyrazolo[1,5-a]pyrimidine-3-carbohydrazide
CID 121418872
N-(dimethylaminomethylidene)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 54497154
dimethyl 5-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)benzene-1,3-dicarboxylate
CID 5112652
N-(2-hydroxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19414443
N-[4-(diethylamino)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19414447
N-(5-methyl-1,2-oxazol-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 1251288
4-[methyl(pyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]butanoic acid
CID 119135811
N-[(1R)-1-pyridin-2-ylethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 39991149
N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146125081
N-methyl-N-(2-methylcyclohexyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 47160097

Frequently Asked Questions

What is the IUPAC name of ethane;1-pyrazolo[1,5-a]pyrimidin-3-ylethanone?
The IUPAC name of ethane;1-pyrazolo[1,5-a]pyrimidin-3-ylethanone (CID 91104664) is ethane;1-pyrazolo[1,5-a]pyrimidin-3-ylethanone.
What is the SMILES notation for ethane;1-pyrazolo[1,5-a]pyrimidin-3-ylethanone?
The canonical SMILES for ethane;1-pyrazolo[1,5-a]pyrimidin-3-ylethanone is CC.CC(=O)c1cnn2cccnc12.
What is the InChIKey of ethane;1-pyrazolo[1,5-a]pyrimidin-3-ylethanone?
The InChIKey is GXFVJLSLLIVUTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O.C2H6/c1-6(12)7-5-10-11-4-2-3-9-8(7)11;1-2/h2-5H,1H3;1-2H3.
What are the key properties of ethane;1-pyrazolo[1,5-a]pyrimidin-3-ylethanone?
ethane;1-pyrazolo[1,5-a]pyrimidin-3-ylethanone has a molecular weight of 191.23 g/mol, XLogP of 1.96, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-pyrazolo[1,5-a]pyrimidin-3-ylethanone is sourced from PubChem (CID 91104664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).