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

C15H19N3O4 — CID 167205948

IUPACethyl 5-(cyclopentyloxymethyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-2-carboxylate
SMILESCCOC(=O)c1cc2nc(COC3CCCC3)cc(=O)n2[nH]1
InChIInChI=1S/C15H19N3O4/c1-2-21-15(20)12-8-13-16-10(7-14(19)18(13)17-12)9-22-11-5-3-4-6-11/h7-8,11,17H,2-6,9H2,1H3
InChIKeyWFRAVHVPEPMSGI-UHFFFAOYSA-N
MW305.33 g/mol
LogP1.66
Rot. Bonds5

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

ethyl 5-(cyclopentyloxymethyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-2-carboxylate (PubChem CID 167205948) has the molecular formula C15H19N3O4 and a molecular weight of 305.33 g/mol. Its IUPAC name is ethyl 5-(cyclopentyloxymethyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-(cyclopentyloxymethyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-2-carboxylate
PubChem CID167205948
Molecular FormulaC15H19N3O4
Molecular Weight305.33 g/mol
Exact Mass305.14
IUPAC Nameethyl 5-(cyclopentyloxymethyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-2-carboxylate
SMILESCCOC(=O)c1cc2nc(COC3CCCC3)cc(=O)n2[nH]1
InChIInChI=1S/C15H19N3O4/c1-2-21-15(20)12-8-13-16-10(7-14(19)18(13)17-12)9-22-11-5-3-4-6-11/h7-8,11,17H,2-6,9H2,1H3
InChIKeyWFRAVHVPEPMSGI-UHFFFAOYSA-N
XLogP1.66
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 5-(cyclopentylmethyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-2-carboxylate
CID 167206295
ethyl 5,6-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-2-carboxylate
CID 114514372
(2-methylphenyl)methyl 7-oxo-5-phenyl-1H-pyrazolo[1,5-a]pyrimidine-2-carboxylate
CID 167833481
5-(cyclopentyloxymethyl)-3-(4-phenylthiophen-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 70223983
4-(cyclohexyloxymethyl)-2-(hydroxymethyl)-1H-pyrimidin-6-one
CID 136842575
ethyl 2-[(2S)-1,1-dioxothiolan-2-yl]-3-oxo-1H-pyrazole-5-carboxylate
CID 86311832
ethyl 5-(cyclobutyloxymethyl)-1,2,4-oxadiazole-3-carboxylate
CID 165484898
acetic acid;ethyl 2-methyl-3-oxo-1H-pyrazole-5-carboxylate
CID 90856246
5-(3-aminopropyl)-2-cyclopentyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 82271064
5-(methoxymethyl)-2-(4-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 761945
(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 1H-indole-2-carboxylate
CID 7681418
2-phenyl-5-[(1-prop-1-en-2-ylpiperidin-4-yl)oxymethyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 58448317

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(cyclopentyloxymethyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-2-carboxylate?
The IUPAC name of ethyl 5-(cyclopentyloxymethyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-2-carboxylate (CID 167205948) is ethyl 5-(cyclopentyloxymethyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-2-carboxylate.
What is the SMILES notation for ethyl 5-(cyclopentyloxymethyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-2-carboxylate?
The canonical SMILES for ethyl 5-(cyclopentyloxymethyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-2-carboxylate is CCOC(=O)c1cc2nc(COC3CCCC3)cc(=O)n2[nH]1.
What is the InChIKey of ethyl 5-(cyclopentyloxymethyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-2-carboxylate?
The InChIKey is WFRAVHVPEPMSGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O4/c1-2-21-15(20)12-8-13-16-10(7-14(19)18(13)17-12)9-22-11-5-3-4-6-11/h7-8,11,17H,2-6,9H2,1H3.
What are the key properties of ethyl 5-(cyclopentyloxymethyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-2-carboxylate?
ethyl 5-(cyclopentyloxymethyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-2-carboxylate has a molecular weight of 305.33 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(cyclopentyloxymethyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-2-carboxylate is sourced from PubChem (CID 167205948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).