1-(2-ethylpyrazolo[1,5-a]pyrimidin-6-yl)propan-2-one

C11H13N3O — CID 84777316

IUPAC1-(2-ethylpyrazolo[1,5-a]pyrimidin-6-yl)propan-2-one
SMILESCCc1cc2ncc(CC(C)=O)cn2n1
InChIInChI=1S/C11H13N3O/c1-3-10-5-11-12-6-9(4-8(2)15)7-14(11)13-10/h5-7H,3-4H2,1-2H3
InChIKeyYGVVKXDSJPMDLC-UHFFFAOYSA-N
MW203.24 g/mol
LogP1.42
Rot. Bonds3

About 1-(2-ethylpyrazolo[1,5-a]pyrimidin-6-yl)propan-2-one

1-(2-ethylpyrazolo[1,5-a]pyrimidin-6-yl)propan-2-one (PubChem CID 84777316) has the molecular formula C11H13N3O and a molecular weight of 203.24 g/mol. Its IUPAC name is 1-(2-ethylpyrazolo[1,5-a]pyrimidin-6-yl)propan-2-one.

Molecular Properties

Compound Name1-(2-ethylpyrazolo[1,5-a]pyrimidin-6-yl)propan-2-one
PubChem CID84777316
Molecular FormulaC11H13N3O
Molecular Weight203.24 g/mol
Exact Mass203.11
IUPAC Name1-(2-ethylpyrazolo[1,5-a]pyrimidin-6-yl)propan-2-one
SMILESCCc1cc2ncc(CC(C)=O)cn2n1
InChIInChI=1S/C11H13N3O/c1-3-10-5-11-12-6-9(4-8(2)15)7-14(11)13-10/h5-7H,3-4H2,1-2H3
InChIKeyYGVVKXDSJPMDLC-UHFFFAOYSA-N
XLogP1.42
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2-ethylpyrazolo[1,5-a]pyrimidin-6-yl)methanol
CID 84767334
2-(2-ethylpyrazolo[1,5-a]pyrimidin-6-yl)ethanol
CID 165474504
2-ethylpyrazolo[1,5-a]pyrimidin-6-ol
CID 117246784
2-(2-propan-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)acetic acid
CID 84786594
ethane;6-ethyl-2-fluoropyrazolo[1,5-a]pyrimidine
CID 163226180
6-ethyl-2-methylpyrazolo[1,5-a]pyrimidine
CID 12773561
2-(6-propan-2-ylpyrazolo[1,5-a]pyrimidin-2-yl)acetic acid
CID 84684657
6-bromo-2-propylpyrazolo[1,5-a]pyrimidine
CID 104619391
2-[3-acetyl-5-(2-ethylpyrazolo[1,5-a]pyrimidin-6-yl)indazol-1-yl]acetic acid
CID 126643108
2-benzylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid
CID 156508030
ethyl 6-(ethylaminomethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate
CID 114514786
(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanesulfonyl chloride
CID 84802935

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylpyrazolo[1,5-a]pyrimidin-6-yl)propan-2-one?
The IUPAC name of 1-(2-ethylpyrazolo[1,5-a]pyrimidin-6-yl)propan-2-one (CID 84777316) is 1-(2-ethylpyrazolo[1,5-a]pyrimidin-6-yl)propan-2-one.
What is the SMILES notation for 1-(2-ethylpyrazolo[1,5-a]pyrimidin-6-yl)propan-2-one?
The canonical SMILES for 1-(2-ethylpyrazolo[1,5-a]pyrimidin-6-yl)propan-2-one is CCc1cc2ncc(CC(C)=O)cn2n1.
What is the InChIKey of 1-(2-ethylpyrazolo[1,5-a]pyrimidin-6-yl)propan-2-one?
The InChIKey is YGVVKXDSJPMDLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-3-10-5-11-12-6-9(4-8(2)15)7-14(11)13-10/h5-7H,3-4H2,1-2H3.
What are the key properties of 1-(2-ethylpyrazolo[1,5-a]pyrimidin-6-yl)propan-2-one?
1-(2-ethylpyrazolo[1,5-a]pyrimidin-6-yl)propan-2-one has a molecular weight of 203.24 g/mol, XLogP of 1.42, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylpyrazolo[1,5-a]pyrimidin-6-yl)propan-2-one is sourced from PubChem (CID 84777316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).