ethyl 5-(4-cyclohexyloxyphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-(4-cyclohexylphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-(4-cyclopentylphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[4-(4,4-difluorocyclohexyl)phenyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-(3-methyl-4-phenoxyphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylate

C105H107F2N15O17 — CID 158168376

IUPACethyl 5-(4-cyclohexyloxyphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-(4-cyclohexylphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-(4-cyclopentylphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[4-(4,4-difluorocyclohexyl)phenyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-(3-methyl-4-phenoxyphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylate
SMILESCCOC(=O)c1c[nH]n2c(=O)cc(-c3ccc(C4CCC(F)(F)CC4)cc3)nc12.CCOC(=O)c1c[nH]n2c(=O)cc(-c3ccc(C4CCCC4)cc3)nc12.CCOC(=O)c1c[nH]n2c(=O)cc(-c3ccc(C4CCCCC4)cc3)nc12.CCOC(=O)c1c[nH]n2c(=O)cc(-c3ccc(OC4CCCCC4)cc3)nc12.CCOC(=O)c1c[nH]n2c(=O)cc(-c3ccc(Oc4ccccc4)c(C)c3)nc12
InChIInChI=1S/C22H19N3O4.C21H21F2N3O3.C21H23N3O4.C21H23N3O3.C20H21N3O3/c1-3-28-22(27)17-13-23-25-20(26)12-18(24-21(17)25)15-9-10-19(14(2)11-15)29-16-7-5-4-6-8-16;1-2-29-20(28)16-12-24-26-18(27)11-17(25-19(16)26)15-5-3-13(4-6-15)14-7-9-21(22,23)10-8-14;1-2-27-21(26)17-13-22-24-19(25)12-18(23-20(17)24)14-8-10-16(11-9-14)28-15-6-4-3-5-7-15;1-2-27-21(26)17-13-22-24-19(25)12-18(23-20(17)24)16-10-8-15(9-11-16)14-6-4-3-5-7-14;1-2-26-20(25)16-12-21-23-18(24)11-17(22-19(16)23)15-9-7-14(8-10-15)13-5-3-4-6-13/h4-13,23H,3H2,1-2H3;3-6,11-12,14,24H,2,7-10H2,1H3;8-13,15,22H,2-7H2,1H3;8-14,22H,2-7H2,1H3;7-13,21H,2-6H2,1H3
InChIKeyFGVTTXGLOVXUGS-UHFFFAOYSA-N
MW1889.09 g/mol
LogP19.14
Rot. Bonds22

About ethyl 5-(4-cyclohexyloxyphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-(4-cyclohexylphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-(4-cyclopentylphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[4-(4,4-difluorocyclohexyl)phenyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-(3-methyl-4-phenoxyphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylate

ethyl 5-(4-cyclohexyloxyphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-(4-cyclohexylphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-(4-cyclopentylphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[4-(4,4-difluorocyclohexyl)phenyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-(3-methyl-4-phenoxyphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylate (PubChem CID 158168376) has the molecular formula C105H107F2N15O17 and a molecular weight of 1889.09 g/mol. Its IUPAC name is ethyl 5-(4-cyclohexyloxyphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-(4-cyclohexylphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-(4-cyclopentylphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[4-(4,4-difluorocyclohexyl)phenyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-(3-methyl-4-phenoxyphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-(4-cyclohexyloxyphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-(4-cyclohexylphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-(4-cyclopentylphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[4-(4,4-difluorocyclohexyl)phenyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-(3-methyl-4-phenoxyphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylate
PubChem CID158168376
Molecular FormulaC105H107F2N15O17
Molecular Weight1889.09 g/mol
Exact Mass1887.79
IUPAC Nameethyl 5-(4-cyclohexyloxyphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-(4-cyclohexylphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-(4-cyclopentylphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[4-(4,4-difluorocyclohexyl)phenyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-(3-methyl-4-phenoxyphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylate
SMILESCCOC(=O)c1c[nH]n2c(=O)cc(-c3ccc(C4CCC(F)(F)CC4)cc3)nc12.CCOC(=O)c1c[nH]n2c(=O)cc(-c3ccc(C4CCCC4)cc3)nc12.CCOC(=O)c1c[nH]n2c(=O)cc(-c3ccc(C4CCCCC4)cc3)nc12.CCOC(=O)c1c[nH]n2c(=O)cc(-c3ccc(OC4CCCCC4)cc3)nc12.CCOC(=O)c1c[nH]n2c(=O)cc(-c3ccc(Oc4ccccc4)c(C)c3)nc12
InChIInChI=1S/C22H19N3O4.C21H21F2N3O3.C21H23N3O4.C21H23N3O3.C20H21N3O3/c1-3-28-22(27)17-13-23-25-20(26)12-18(24-21(17)25)15-9-10-19(14(2)11-15)29-16-7-5-4-6-8-16;1-2-29-20(28)16-12-24-26-18(27)11-17(25-19(16)26)15-5-3-13(4-6-15)14-7-9-21(22,23)10-8-14;1-2-27-21(26)17-13-22-24-19(25)12-18(23-20(17)24)14-8-10-16(11-9-14)28-15-6-4-3-5-7-15;1-2-27-21(26)17-13-22-24-19(25)12-18(23-20(17)24)16-10-8-15(9-11-16)14-6-4-3-5-7-14;1-2-26-20(25)16-12-21-23-18(24)11-17(22-19(16)23)15-9-7-14(8-10-15)13-5-3-4-6-13/h4-13,23H,3H2,1-2H3;3-6,11-12,14,24H,2,7-10H2,1H3;8-13,15,22H,2-7H2,1H3;8-14,22H,2-7H2,1H3;7-13,21H,2-6H2,1H3
InChIKeyFGVTTXGLOVXUGS-UHFFFAOYSA-N
XLogP19.14
TPSA400.76 Ų
H-Bond Donors5
H-Bond Acceptors27
Rotatable Bonds22
Heavy Atoms139
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001889.09
LogP ≤ 519.14
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze ethyl 5-(4-cyclohexyloxyphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-(4-cyclohexylphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-(4-cyclopentylphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[4-(4,4-difluorocyclohexyl)phenyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-(3-methyl-4-phenoxyphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-(4-cyclohexyloxyphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-(4-cyclohexylphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-(4-cyclopentylphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[4-(4,4-difluorocyclohexyl)phenyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-(3-methyl-4-phenoxyphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylate?
The IUPAC name of ethyl 5-(4-cyclohexyloxyphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-(4-cyclohexylphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-(4-cyclopentylphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[4-(4,4-difluorocyclohexyl)phenyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-(3-methyl-4-phenoxyphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylate (CID 158168376) is ethyl 5-(4-cyclohexyloxyphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-(4-cyclohexylphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-(4-cyclopentylphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[4-(4,4-difluorocyclohexyl)phenyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-(3-methyl-4-phenoxyphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylate.
What is the SMILES notation for ethyl 5-(4-cyclohexyloxyphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-(4-cyclohexylphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-(4-cyclopentylphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[4-(4,4-difluorocyclohexyl)phenyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-(3-methyl-4-phenoxyphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylate?
The canonical SMILES for ethyl 5-(4-cyclohexyloxyphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-(4-cyclohexylphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-(4-cyclopentylphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[4-(4,4-difluorocyclohexyl)phenyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-(3-methyl-4-phenoxyphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylate is CCOC(=O)c1c[nH]n2c(=O)cc(-c3ccc(C4CCC(F)(F)CC4)cc3)nc12.CCOC(=O)c1c[nH]n2c(=O)cc(-c3ccc(C4CCCC4)cc3)nc12.CCOC(=O)c1c[nH]n2c(=O)cc(-c3ccc(C4CCCCC4)cc3)nc12.CCOC(=O)c1c[nH]n2c(=O)cc(-c3ccc(OC4CCCCC4)cc3)nc12.CCOC(=O)c1c[nH]n2c(=O)cc(-c3ccc(Oc4ccccc4)c(C)c3)nc12.
What is the InChIKey of ethyl 5-(4-cyclohexyloxyphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-(4-cyclohexylphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-(4-cyclopentylphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[4-(4,4-difluorocyclohexyl)phenyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-(3-methyl-4-phenoxyphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylate?
The InChIKey is FGVTTXGLOVXUGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O4.C21H21F2N3O3.C21H23N3O4.C21H23N3O3.C20H21N3O3/c1-3-28-22(27)17-13-23-25-20(26)12-18(24-21(17)25)15-9-10-19(14(2)11-15)29-16-7-5-4-6-8-16;1-2-29-20(28)16-12-24-26-18(27)11-17(25-19(16)26)15-5-3-13(4-6-15)14-7-9-21(22,23)10-8-14;1-2-27-21(26)17-13-22-24-19(25)12-18(23-20(17)24)14-8-10-16(11-9-14)28-15-6-4-3-5-7-15;1-2-27-21(26)17-13-22-24-19(25)12-18(23-20(17)24)16-10-8-15(9-11-16)14-6-4-3-5-7-14;1-2-26-20(25)16-12-21-23-18(24)11-17(22-19(16)23)15-9-7-14(8-10-15)13-5-3-4-6-13/h4-13,23H,3H2,1-2H3;3-6,11-12,14,24H,2,7-10H2,1H3;8-13,15,22H,2-7H2,1H3;8-14,22H,2-7H2,1H3;7-13,21H,2-6H2,1H3.
What are the key properties of ethyl 5-(4-cyclohexyloxyphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-(4-cyclohexylphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-(4-cyclopentylphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[4-(4,4-difluorocyclohexyl)phenyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-(3-methyl-4-phenoxyphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylate?
ethyl 5-(4-cyclohexyloxyphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-(4-cyclohexylphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-(4-cyclopentylphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[4-(4,4-difluorocyclohexyl)phenyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-(3-methyl-4-phenoxyphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylate has a molecular weight of 1889.09 g/mol, XLogP of 19.14, 22 rotatable bonds, 5 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(4-cyclohexyloxyphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-(4-cyclohexylphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-(4-cyclopentylphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[4-(4,4-difluorocyclohexyl)phenyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-(3-methyl-4-phenoxyphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylate is sourced from PubChem (CID 158168376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).