ethyl 5-methyl-2-pyrazolo[1,5-a]pyrimidin-3-ylbenzoate

C16H15N3O2 — CID 171682366

IUPACethyl 5-methyl-2-pyrazolo[1,5-a]pyrimidin-3-ylbenzoate
SMILESCCOC(=O)c1cc(C)ccc1-c1cnn2cccnc12
InChIInChI=1S/C16H15N3O2/c1-3-21-16(20)13-9-11(2)5-6-12(13)14-10-18-19-8-4-7-17-15(14)19/h4-10H,3H2,1-2H3
InChIKeyHCZHWFIYNGYTJS-UHFFFAOYSA-N
MW281.32 g/mol
LogP2.88
Rot. Bonds3

About ethyl 5-methyl-2-pyrazolo[1,5-a]pyrimidin-3-ylbenzoate

ethyl 5-methyl-2-pyrazolo[1,5-a]pyrimidin-3-ylbenzoate (PubChem CID 171682366) has the molecular formula C16H15N3O2 and a molecular weight of 281.32 g/mol. Its IUPAC name is ethyl 5-methyl-2-pyrazolo[1,5-a]pyrimidin-3-ylbenzoate.

Molecular Properties

Compound Nameethyl 5-methyl-2-pyrazolo[1,5-a]pyrimidin-3-ylbenzoate
PubChem CID171682366
Molecular FormulaC16H15N3O2
Molecular Weight281.32 g/mol
Exact Mass281.12
IUPAC Nameethyl 5-methyl-2-pyrazolo[1,5-a]pyrimidin-3-ylbenzoate
SMILESCCOC(=O)c1cc(C)ccc1-c1cnn2cccnc12
InChIInChI=1S/C16H15N3O2/c1-3-21-16(20)13-9-11(2)5-6-12(13)14-10-18-19-8-4-7-17-15(14)19/h4-10H,3H2,1-2H3
InChIKeyHCZHWFIYNGYTJS-UHFFFAOYSA-N
XLogP2.88
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 5-chloro-2-pyrazolo[1,5-a]pyrimidin-3-ylbenzoate
CID 171682355
ethyl imidazo[1,2-b]pyridazine-8-carboxylate
CID 139465945
ethyl 2-aminopyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 66850701
hexan-2-one;3-(2-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidine
CID 161173714
ethyl 8-cyclopropylimidazo[1,2-b]pyridazine-7-carboxylate
CID 155456630
ethyl 3,4-dihydroxy-4-pyrazolo[1,5-a]pyrimidin-3-ylbutanoate
CID 171897558
N-[(2-ethoxy-3-pyridinyl)methyl]-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 53184947
ethyl 2-bromopyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 71742950
[2-[2,5-dimethyl-1-(4-sulfamoylphenyl)pyrrol-3-yl]-2-oxoethyl] pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 166205481
ethane;1-pyrazolo[1,5-a]pyrimidin-3-ylethanone
CID 91104664
N-[(2S)-1-(4-methylphenoxy)propan-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 95275467
ethyl 3-pyrazol-1-ylpyridine-2-carboxylate
CID 141444753

Frequently Asked Questions

What is the IUPAC name of ethyl 5-methyl-2-pyrazolo[1,5-a]pyrimidin-3-ylbenzoate?
The IUPAC name of ethyl 5-methyl-2-pyrazolo[1,5-a]pyrimidin-3-ylbenzoate (CID 171682366) is ethyl 5-methyl-2-pyrazolo[1,5-a]pyrimidin-3-ylbenzoate.
What is the SMILES notation for ethyl 5-methyl-2-pyrazolo[1,5-a]pyrimidin-3-ylbenzoate?
The canonical SMILES for ethyl 5-methyl-2-pyrazolo[1,5-a]pyrimidin-3-ylbenzoate is CCOC(=O)c1cc(C)ccc1-c1cnn2cccnc12.
What is the InChIKey of ethyl 5-methyl-2-pyrazolo[1,5-a]pyrimidin-3-ylbenzoate?
The InChIKey is HCZHWFIYNGYTJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-3-21-16(20)13-9-11(2)5-6-12(13)14-10-18-19-8-4-7-17-15(14)19/h4-10H,3H2,1-2H3.
What are the key properties of ethyl 5-methyl-2-pyrazolo[1,5-a]pyrimidin-3-ylbenzoate?
ethyl 5-methyl-2-pyrazolo[1,5-a]pyrimidin-3-ylbenzoate has a molecular weight of 281.32 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-methyl-2-pyrazolo[1,5-a]pyrimidin-3-ylbenzoate is sourced from PubChem (CID 171682366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).