ethyl 4-(2-phenylethyl)-7H-pyrazolo[1,5-a]pyrimidine-6-carboxylate

C17H19N3O2 — CID 150824063

IUPACethyl 4-(2-phenylethyl)-7H-pyrazolo[1,5-a]pyrimidine-6-carboxylate
SMILESCCOC(=O)C1=CN(CCc2ccccc2)c2ccnn2C1
InChIInChI=1S/C17H19N3O2/c1-2-22-17(21)15-12-19(16-8-10-18-20(16)13-15)11-9-14-6-4-3-5-7-14/h3-8,10,12H,2,9,11,13H2,1H3
InChIKeyKKNQUNVCJUOJJG-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.39
Rot. Bonds5

About ethyl 4-(2-phenylethyl)-7H-pyrazolo[1,5-a]pyrimidine-6-carboxylate

ethyl 4-(2-phenylethyl)-7H-pyrazolo[1,5-a]pyrimidine-6-carboxylate (PubChem CID 150824063) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is ethyl 4-(2-phenylethyl)-7H-pyrazolo[1,5-a]pyrimidine-6-carboxylate.

Molecular Properties

Compound Nameethyl 4-(2-phenylethyl)-7H-pyrazolo[1,5-a]pyrimidine-6-carboxylate
PubChem CID150824063
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Nameethyl 4-(2-phenylethyl)-7H-pyrazolo[1,5-a]pyrimidine-6-carboxylate
SMILESCCOC(=O)C1=CN(CCc2ccccc2)c2ccnn2C1
InChIInChI=1S/C17H19N3O2/c1-2-22-17(21)15-12-19(16-8-10-18-20(16)13-15)11-9-14-6-4-3-5-7-14/h3-8,10,12H,2,9,11,13H2,1H3
InChIKeyKKNQUNVCJUOJJG-UHFFFAOYSA-N
XLogP2.39
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl 5-[(4-benzylpiperazine-1-carbonyl)amino]-1-methylpyrazole-4-carboxylate
CID 44574689
Ethyl 4-benzyl-2-methyl-7-oxo-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 2822084
ethyl 5-amino-1-(4-methylbenzyl)-1H-pyrazole-4-carboxylate
CID 937102
ethyl 5-amino-1-benzyl-1H-pyrazole-4-carboxylate
CID 785810
Pyrazolo(1,5-a)pyrimidine-6-carboxylic acid, 4,7-dihydro-7-(2-fluorophenyl)-5-methyl-, 1-methylethyl ester
CID 3065085
US11104680, Example 13
CID 153471530
ethyl (E)-3-(7-oxo-2-phenylpyrazolo[1,5-a]pyrimidin-4-yl)prop-2-enoate
CID 44292475
ethyl (1E)-N-(1-benzyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)methanimidate
CID 72165097
Methyl 11-benzyl-2-methyl-8-oxo-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1(9),3,5-triene-4-carboxylate
CID 20855174
methyl 3-benzyl-2,4-dihydro-1H-pyrazolo[1,5-a][1,3,5]triazine-8-carboxylate
CID 135522121
2-Benzyl-6-methylpyrazolo[3,4-d][1,3]oxazin-4(2H)-one
CID 371133
Ethyl (2-benzyl-6-methyl-4-oxo-2,4-dihydro-5H-pyrazolo[3,4-d]pyrimidin-5-yl)acetate
CID 377197

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2-phenylethyl)-7H-pyrazolo[1,5-a]pyrimidine-6-carboxylate?
The IUPAC name of ethyl 4-(2-phenylethyl)-7H-pyrazolo[1,5-a]pyrimidine-6-carboxylate (CID 150824063) is ethyl 4-(2-phenylethyl)-7H-pyrazolo[1,5-a]pyrimidine-6-carboxylate.
What is the SMILES notation for ethyl 4-(2-phenylethyl)-7H-pyrazolo[1,5-a]pyrimidine-6-carboxylate?
The canonical SMILES for ethyl 4-(2-phenylethyl)-7H-pyrazolo[1,5-a]pyrimidine-6-carboxylate is CCOC(=O)C1=CN(CCc2ccccc2)c2ccnn2C1.
What is the InChIKey of ethyl 4-(2-phenylethyl)-7H-pyrazolo[1,5-a]pyrimidine-6-carboxylate?
The InChIKey is KKNQUNVCJUOJJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-2-22-17(21)15-12-19(16-8-10-18-20(16)13-15)11-9-14-6-4-3-5-7-14/h3-8,10,12H,2,9,11,13H2,1H3.
What are the key properties of ethyl 4-(2-phenylethyl)-7H-pyrazolo[1,5-a]pyrimidine-6-carboxylate?
ethyl 4-(2-phenylethyl)-7H-pyrazolo[1,5-a]pyrimidine-6-carboxylate has a molecular weight of 297.36 g/mol, XLogP of 2.39, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2-phenylethyl)-7H-pyrazolo[1,5-a]pyrimidine-6-carboxylate is sourced from PubChem (CID 150824063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).