methyl 6-cyclohexyl-5-(furan-2-yl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-2-carboxylate

C18H19N3O4 — CID 15958260

IUPACmethyl 6-cyclohexyl-5-(furan-2-yl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-2-carboxylate
SMILESCOC(=O)c1cc2nc(-c3ccco3)c(C3CCCCC3)c(=O)n2[nH]1
InChIInChI=1S/C18H19N3O4/c1-24-18(23)12-10-14-19-16(13-8-5-9-25-13)15(17(22)21(14)20-12)11-6-3-2-4-7-11/h5,8-11,20H,2-4,6-7H2,1H3
InChIKeyOYZGCPBZPRNPKT-UHFFFAOYSA-N
MW341.37 g/mol
LogP3.12
Rot. Bonds3

About methyl 6-cyclohexyl-5-(furan-2-yl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-2-carboxylate

methyl 6-cyclohexyl-5-(furan-2-yl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-2-carboxylate (PubChem CID 15958260) has the molecular formula C18H19N3O4 and a molecular weight of 341.37 g/mol. Its IUPAC name is methyl 6-cyclohexyl-5-(furan-2-yl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-cyclohexyl-5-(furan-2-yl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-2-carboxylate
PubChem CID15958260
Molecular FormulaC18H19N3O4
Molecular Weight341.37 g/mol
Exact Mass341.14
IUPAC Namemethyl 6-cyclohexyl-5-(furan-2-yl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-2-carboxylate
SMILESCOC(=O)c1cc2nc(-c3ccco3)c(C3CCCCC3)c(=O)n2[nH]1
InChIInChI=1S/C18H19N3O4/c1-24-18(23)12-10-14-19-16(13-8-5-9-25-13)15(17(22)21(14)20-12)11-6-3-2-4-7-11/h5,8-11,20H,2-4,6-7H2,1H3
InChIKeyOYZGCPBZPRNPKT-UHFFFAOYSA-N
XLogP3.12
TPSA89.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 6-cyclohexyl-5-(furan-2-yl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-2-carboxylate with MolForge

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Related Compounds

6-benzyl-2-(2-furyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrrolo[3,4-d]pyrimidine-5,8-dione
CID 2813284
N-benzylsulfonyl-6-cyclohexyl-5-(2-furyl)-7-oxo-4H-pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 9956826
6-cyclohexyl-5-(2-furyl)-7-oxo-4H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 15958252
6-Butyl-2-(2-furyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-7-one
CID 2818843
2-(2-Furyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7(4H)-one
CID 342597
2-(2,5-dimethylfuran-3-yl)-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-9-one
CID 44522301
6-cyclohexyl-2-(2-furyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrrolo[3,4-d]pyrimidine-5,8-dione
CID 2813286
2-(2-Furyl)-5-(methoxymethyl)-4,7-dihydropyrazolo[1,5-a]pyrimidin-7-one
CID 2819064
2-(2-furanyl)-5-methyl-6-(phenylmethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 1942295
3-(furan-2-yl)-5-methyl-2-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 164622252
2-(furan-2-yl)-5-methyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 164625578
6-cyclohexyl-5-(3-furyl)-7-oxo-4H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 15958253

Frequently Asked Questions

What is the IUPAC name of methyl 6-cyclohexyl-5-(furan-2-yl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-2-carboxylate?
The IUPAC name of methyl 6-cyclohexyl-5-(furan-2-yl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-2-carboxylate (CID 15958260) is methyl 6-cyclohexyl-5-(furan-2-yl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-2-carboxylate.
What is the SMILES notation for methyl 6-cyclohexyl-5-(furan-2-yl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-2-carboxylate?
The canonical SMILES for methyl 6-cyclohexyl-5-(furan-2-yl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-2-carboxylate is COC(=O)c1cc2nc(-c3ccco3)c(C3CCCCC3)c(=O)n2[nH]1.
What is the InChIKey of methyl 6-cyclohexyl-5-(furan-2-yl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-2-carboxylate?
The InChIKey is OYZGCPBZPRNPKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4/c1-24-18(23)12-10-14-19-16(13-8-5-9-25-13)15(17(22)21(14)20-12)11-6-3-2-4-7-11/h5,8-11,20H,2-4,6-7H2,1H3.
What are the key properties of methyl 6-cyclohexyl-5-(furan-2-yl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-2-carboxylate?
methyl 6-cyclohexyl-5-(furan-2-yl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-2-carboxylate has a molecular weight of 341.37 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-cyclohexyl-5-(furan-2-yl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-2-carboxylate is sourced from PubChem (CID 15958260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).