ethyl 5-(cyclopentylmethyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-2-carboxylate

C15H19N3O3 — CID 167206295

IUPACethyl 5-(cyclopentylmethyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-2-carboxylate
SMILESCCOC(=O)c1cc2nc(CC3CCCC3)cc(=O)n2[nH]1
InChIInChI=1S/C15H19N3O3/c1-2-21-15(20)12-9-13-16-11(7-10-5-3-4-6-10)8-14(19)18(13)17-12/h8-10,17H,2-7H2,1H3
InChIKeyOBJDGKWASNPCNH-UHFFFAOYSA-N
MW289.34 g/mol
LogP1.93
Rot. Bonds4

About ethyl 5-(cyclopentylmethyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-2-carboxylate

ethyl 5-(cyclopentylmethyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-2-carboxylate (PubChem CID 167206295) has the molecular formula C15H19N3O3 and a molecular weight of 289.34 g/mol. Its IUPAC name is ethyl 5-(cyclopentylmethyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-(cyclopentylmethyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-2-carboxylate
PubChem CID167206295
Molecular FormulaC15H19N3O3
Molecular Weight289.34 g/mol
Exact Mass289.14
IUPAC Nameethyl 5-(cyclopentylmethyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-2-carboxylate
SMILESCCOC(=O)c1cc2nc(CC3CCCC3)cc(=O)n2[nH]1
InChIInChI=1S/C15H19N3O3/c1-2-21-15(20)12-9-13-16-11(7-10-5-3-4-6-10)8-14(19)18(13)17-12/h8-10,17H,2-7H2,1H3
InChIKeyOBJDGKWASNPCNH-UHFFFAOYSA-N
XLogP1.93
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 5-(cyclopentyloxymethyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-2-carboxylate
CID 167205948
ethyl 5,6-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-2-carboxylate
CID 114514372
ethyl 5-(cyclohexylmethyl)-7-(1,1-difluoroethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate
CID 167206190
ethyl 5-(cyclobutylmethyl)-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-2-carboxylate
CID 167205929
(2-methylphenyl)methyl 7-oxo-5-phenyl-1H-pyrazolo[1,5-a]pyrimidine-2-carboxylate
CID 167833481
ethyl 4-[4-(cyclohexylmethyl)triazol-1-yl]benzoate
CID 139205006
5-(cyclohexylmethyl)-2-methyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 166606577
ethyl 2-[(2S)-1,1-dioxothiolan-2-yl]-3-oxo-1H-pyrazole-5-carboxylate
CID 86311832
ethyl 5-(cycloheptylmethyl)-1H-imidazole-4-carboxylate
CID 54360930
acetic acid;ethyl 2-methyl-3-oxo-1H-pyrazole-5-carboxylate
CID 90856246
ethyl 5-(2-cyclopentylethyl)-7-prop-1-en-2-ylpyrazolo[1,5-a]pyrimidine-2-carboxylate
CID 167206308
5-(3-aminopropyl)-2-cyclopentyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 82271064

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(cyclopentylmethyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-2-carboxylate?
The IUPAC name of ethyl 5-(cyclopentylmethyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-2-carboxylate (CID 167206295) is ethyl 5-(cyclopentylmethyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-2-carboxylate.
What is the SMILES notation for ethyl 5-(cyclopentylmethyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-2-carboxylate?
The canonical SMILES for ethyl 5-(cyclopentylmethyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-2-carboxylate is CCOC(=O)c1cc2nc(CC3CCCC3)cc(=O)n2[nH]1.
What is the InChIKey of ethyl 5-(cyclopentylmethyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-2-carboxylate?
The InChIKey is OBJDGKWASNPCNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-2-21-15(20)12-9-13-16-11(7-10-5-3-4-6-10)8-14(19)18(13)17-12/h8-10,17H,2-7H2,1H3.
What are the key properties of ethyl 5-(cyclopentylmethyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-2-carboxylate?
ethyl 5-(cyclopentylmethyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-2-carboxylate has a molecular weight of 289.34 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(cyclopentylmethyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-2-carboxylate is sourced from PubChem (CID 167206295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).