ethyl 5,6-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-2-carboxylate

C11H13N3O3 — CID 114514372

IUPACethyl 5,6-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-2-carboxylate
SMILESCCOC(=O)c1cc2nc(C)c(C)c(=O)n2[nH]1
InChIInChI=1S/C11H13N3O3/c1-4-17-11(16)8-5-9-12-7(3)6(2)10(15)14(9)13-8/h5,13H,4H2,1-3H3
InChIKeyDGVNKCALWWEICM-UHFFFAOYSA-N
MW235.24 g/mol
LogP0.82
Rot. Bonds2

About ethyl 5,6-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-2-carboxylate

ethyl 5,6-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-2-carboxylate (PubChem CID 114514372) has the molecular formula C11H13N3O3 and a molecular weight of 235.24 g/mol. Its IUPAC name is ethyl 5,6-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 5,6-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-2-carboxylate
PubChem CID114514372
Molecular FormulaC11H13N3O3
Molecular Weight235.24 g/mol
Exact Mass235.10
IUPAC Nameethyl 5,6-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-2-carboxylate
SMILESCCOC(=O)c1cc2nc(C)c(C)c(=O)n2[nH]1
InChIInChI=1S/C11H13N3O3/c1-4-17-11(16)8-5-9-12-7(3)6(2)10(15)14(9)13-8/h5,13H,4H2,1-3H3
InChIKeyDGVNKCALWWEICM-UHFFFAOYSA-N
XLogP0.82
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5,6-dimethyl-2-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 104621334
6-ethyl-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 114514317
ethyl 5-(cyclopentylmethyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-2-carboxylate
CID 167206295
ethyl 5-(cyclopentyloxymethyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-2-carboxylate
CID 167205948
tert-butyl N-butyl-N-[(5,6-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)methyl]carbamate
CID 130205337
benzyl 2-(5,6-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carboxylate
CID 130205460
acetic acid;ethyl 2-methyl-3-oxo-1H-pyrazole-5-carboxylate
CID 90856246
ethyl 6-methoxy-2-(oxan-4-yl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-5-carboxylate
CID 156703963
ethyl 3-methyl-2,4-dioxo-1H-pyrimidine-6-carboxylate
CID 130005141
2-[(2S)-1-(2-amino-6-methylbenzoyl)piperidin-2-yl]-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 58029346
ethyl 6-methyl-2-methylsulfanyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylate
CID 134086970
2-(2,5-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetic acid
CID 82269784

Frequently Asked Questions

What is the IUPAC name of ethyl 5,6-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-2-carboxylate?
The IUPAC name of ethyl 5,6-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-2-carboxylate (CID 114514372) is ethyl 5,6-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-2-carboxylate.
What is the SMILES notation for ethyl 5,6-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-2-carboxylate?
The canonical SMILES for ethyl 5,6-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-2-carboxylate is CCOC(=O)c1cc2nc(C)c(C)c(=O)n2[nH]1.
What is the InChIKey of ethyl 5,6-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-2-carboxylate?
The InChIKey is DGVNKCALWWEICM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3/c1-4-17-11(16)8-5-9-12-7(3)6(2)10(15)14(9)13-8/h5,13H,4H2,1-3H3.
What are the key properties of ethyl 5,6-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-2-carboxylate?
ethyl 5,6-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-2-carboxylate has a molecular weight of 235.24 g/mol, XLogP of 0.82, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5,6-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-2-carboxylate is sourced from PubChem (CID 114514372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).