ethyl 1-(cyclobutylmethyl)-5-methylpyrazole-3-carboxylate;ethyl 1-(cyclohexylmethyl)-5-methylpyrazole-3-carboxylate;ethyl 1-(cyclopentylmethyl)-5-methylpyrazole-3-carboxylate;ethyl 1-(cyclopropylmethyl)-5-methylpyrazole-3-carboxylate;ethyl 1-[2-(3,5-difluorophenyl)ethyl]-5-methylpyrazole-3-carboxylate;ethyl 1-[(1,5-dimethylpyrazol-3-yl)methyl]-5-methylpyrazole-3-carboxylate;ethyl 5-methyl-1-[(1-methylpyrazol-3-yl)methyl]pyrazole-3-carboxylate;ethyl 5-methyl-1-(oxolan-2-ylmethyl)pyrazole-3-carboxylate

C102H144F2N20O17 — CID 161257915

IUPACethyl 1-(cyclobutylmethyl)-5-methylpyrazole-3-carboxylate;ethyl 1-(cyclohexylmethyl)-5-methylpyrazole-3-carboxylate;ethyl 1-(cyclopentylmethyl)-5-methylpyrazole-3-carboxylate;ethyl 1-(cyclopropylmethyl)-5-methylpyrazole-3-carboxylate;ethyl 1-[2-(3,5-difluorophenyl)ethyl]-5-methylpyrazole-3-carboxylate;ethyl 1-[(1,5-dimethylpyrazol-3-yl)methyl]-5-methylpyrazole-3-carboxylate;ethyl 5-methyl-1-[(1-methylpyrazol-3-yl)methyl]pyrazole-3-carboxylate;ethyl 5-methyl-1-(oxolan-2-ylmethyl)pyrazole-3-carboxylate
SMILESCCOC(=O)c1cc(C)n(CC2CC2)n1.CCOC(=O)c1cc(C)n(CC2CCC2)n1.CCOC(=O)c1cc(C)n(CC2CCCC2)n1.CCOC(=O)c1cc(C)n(CC2CCCCC2)n1.CCOC(=O)c1cc(C)n(CC2CCCO2)n1.CCOC(=O)c1cc(C)n(CCc2cc(F)cc(F)c2)n1.CCOC(=O)c1cc(C)n(Cc2cc(C)n(C)n2)n1.CCOC(=O)c1cc(C)n(Cc2ccn(C)n2)n1
InChIInChI=1S/C15H16F2N2O2.C14H22N2O2.C13H18N4O2.C13H20N2O2.C12H16N4O2.C12H18N2O3.C12H18N2O2.C11H16N2O2/c1-3-21-15(20)14-6-10(2)19(18-14)5-4-11-7-12(16)9-13(17)8-11;1-3-18-14(17)13-9-11(2)16(15-13)10-12-7-5-4-6-8-12;1-5-19-13(18)12-7-10(3)17(15-12)8-11-6-9(2)16(4)14-11;1-3-17-13(16)12-8-10(2)15(14-12)9-11-6-4-5-7-11;1-4-18-12(17)11-7-9(2)16(14-11)8-10-5-6-15(3)13-10;1-3-16-12(15)11-7-9(2)14(13-11)8-10-5-4-6-17-10;1-3-16-12(15)11-7-9(2)14(13-11)8-10-5-4-6-10;1-3-15-11(14)10-6-8(2)13(12-10)7-9-4-5-9/h6-9H,3-5H2,1-2H3;9,12H,3-8,10H2,1-2H3;6-7H,5,8H2,1-4H3;8,11H,3-7,9H2,1-2H3;5-7H,4,8H2,1-3H3;7,10H,3-6,8H2,1-2H3;7,10H,3-6,8H2,1-2H3;6,9H,3-5,7H2,1-2H3
InChIKeyVCECKDQZAWXWQI-UHFFFAOYSA-N
MW1960.39 g/mol
LogP16.50
Rot. Bonds33

About ethyl 1-(cyclobutylmethyl)-5-methylpyrazole-3-carboxylate;ethyl 1-(cyclohexylmethyl)-5-methylpyrazole-3-carboxylate;ethyl 1-(cyclopentylmethyl)-5-methylpyrazole-3-carboxylate;ethyl 1-(cyclopropylmethyl)-5-methylpyrazole-3-carboxylate;ethyl 1-[2-(3,5-difluorophenyl)ethyl]-5-methylpyrazole-3-carboxylate;ethyl 1-[(1,5-dimethylpyrazol-3-yl)methyl]-5-methylpyrazole-3-carboxylate;ethyl 5-methyl-1-[(1-methylpyrazol-3-yl)methyl]pyrazole-3-carboxylate;ethyl 5-methyl-1-(oxolan-2-ylmethyl)pyrazole-3-carboxylate

ethyl 1-(cyclobutylmethyl)-5-methylpyrazole-3-carboxylate;ethyl 1-(cyclohexylmethyl)-5-methylpyrazole-3-carboxylate;ethyl 1-(cyclopentylmethyl)-5-methylpyrazole-3-carboxylate;ethyl 1-(cyclopropylmethyl)-5-methylpyrazole-3-carboxylate;ethyl 1-[2-(3,5-difluorophenyl)ethyl]-5-methylpyrazole-3-carboxylate;ethyl 1-[(1,5-dimethylpyrazol-3-yl)methyl]-5-methylpyrazole-3-carboxylate;ethyl 5-methyl-1-[(1-methylpyrazol-3-yl)methyl]pyrazole-3-carboxylate;ethyl 5-methyl-1-(oxolan-2-ylmethyl)pyrazole-3-carboxylate (PubChem CID 161257915) has the molecular formula C102H144F2N20O17 and a molecular weight of 1960.39 g/mol. Its IUPAC name is ethyl 1-(cyclobutylmethyl)-5-methylpyrazole-3-carboxylate;ethyl 1-(cyclohexylmethyl)-5-methylpyrazole-3-carboxylate;ethyl 1-(cyclopentylmethyl)-5-methylpyrazole-3-carboxylate;ethyl 1-(cyclopropylmethyl)-5-methylpyrazole-3-carboxylate;ethyl 1-[2-(3,5-difluorophenyl)ethyl]-5-methylpyrazole-3-carboxylate;ethyl 1-[(1,5-dimethylpyrazol-3-yl)methyl]-5-methylpyrazole-3-carboxylate;ethyl 5-methyl-1-[(1-methylpyrazol-3-yl)methyl]pyrazole-3-carboxylate;ethyl 5-methyl-1-(oxolan-2-ylmethyl)pyrazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(cyclobutylmethyl)-5-methylpyrazole-3-carboxylate;ethyl 1-(cyclohexylmethyl)-5-methylpyrazole-3-carboxylate;ethyl 1-(cyclopentylmethyl)-5-methylpyrazole-3-carboxylate;ethyl 1-(cyclopropylmethyl)-5-methylpyrazole-3-carboxylate;ethyl 1-[2-(3,5-difluorophenyl)ethyl]-5-methylpyrazole-3-carboxylate;ethyl 1-[(1,5-dimethylpyrazol-3-yl)methyl]-5-methylpyrazole-3-carboxylate;ethyl 5-methyl-1-[(1-methylpyrazol-3-yl)methyl]pyrazole-3-carboxylate;ethyl 5-methyl-1-(oxolan-2-ylmethyl)pyrazole-3-carboxylate
PubChem CID161257915
Molecular FormulaC102H144F2N20O17
Molecular Weight1960.39 g/mol
Exact Mass1959.10
IUPAC Nameethyl 1-(cyclobutylmethyl)-5-methylpyrazole-3-carboxylate;ethyl 1-(cyclohexylmethyl)-5-methylpyrazole-3-carboxylate;ethyl 1-(cyclopentylmethyl)-5-methylpyrazole-3-carboxylate;ethyl 1-(cyclopropylmethyl)-5-methylpyrazole-3-carboxylate;ethyl 1-[2-(3,5-difluorophenyl)ethyl]-5-methylpyrazole-3-carboxylate;ethyl 1-[(1,5-dimethylpyrazol-3-yl)methyl]-5-methylpyrazole-3-carboxylate;ethyl 5-methyl-1-[(1-methylpyrazol-3-yl)methyl]pyrazole-3-carboxylate;ethyl 5-methyl-1-(oxolan-2-ylmethyl)pyrazole-3-carboxylate
SMILESCCOC(=O)c1cc(C)n(CC2CC2)n1.CCOC(=O)c1cc(C)n(CC2CCC2)n1.CCOC(=O)c1cc(C)n(CC2CCCC2)n1.CCOC(=O)c1cc(C)n(CC2CCCCC2)n1.CCOC(=O)c1cc(C)n(CC2CCCO2)n1.CCOC(=O)c1cc(C)n(CCc2cc(F)cc(F)c2)n1.CCOC(=O)c1cc(C)n(Cc2cc(C)n(C)n2)n1.CCOC(=O)c1cc(C)n(Cc2ccn(C)n2)n1
InChIInChI=1S/C15H16F2N2O2.C14H22N2O2.C13H18N4O2.C13H20N2O2.C12H16N4O2.C12H18N2O3.C12H18N2O2.C11H16N2O2/c1-3-21-15(20)14-6-10(2)19(18-14)5-4-11-7-12(16)9-13(17)8-11;1-3-18-14(17)13-9-11(2)16(15-13)10-12-7-5-4-6-8-12;1-5-19-13(18)12-7-10(3)17(15-12)8-11-6-9(2)16(4)14-11;1-3-17-13(16)12-8-10(2)15(14-12)9-11-6-4-5-7-11;1-4-18-12(17)11-7-9(2)16(14-11)8-10-5-6-15(3)13-10;1-3-16-12(15)11-7-9(2)14(13-11)8-10-5-4-6-17-10;1-3-16-12(15)11-7-9(2)14(13-11)8-10-5-4-6-10;1-3-15-11(14)10-6-8(2)13(12-10)7-9-4-5-9/h6-9H,3-5H2,1-2H3;9,12H,3-8,10H2,1-2H3;6-7H,5,8H2,1-4H3;8,11H,3-7,9H2,1-2H3;5-7H,4,8H2,1-3H3;7,10H,3-6,8H2,1-2H3;7,10H,3-6,8H2,1-2H3;6,9H,3-5,7H2,1-2H3
InChIKeyVCECKDQZAWXWQI-UHFFFAOYSA-N
XLogP16.50
TPSA397.83 Ų
H-Bond Donors
H-Bond Acceptors37
Rotatable Bonds33
Heavy Atoms141
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001960.39
LogP ≤ 516.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1037

Computed Properties (RDKit)

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

Analyze ethyl 1-(cyclobutylmethyl)-5-methylpyrazole-3-carboxylate;ethyl 1-(cyclohexylmethyl)-5-methylpyrazole-3-carboxylate;ethyl 1-(cyclopentylmethyl)-5-methylpyrazole-3-carboxylate;ethyl 1-(cyclopropylmethyl)-5-methylpyrazole-3-carboxylate;ethyl 1-[2-(3,5-difluorophenyl)ethyl]-5-methylpyrazole-3-carboxylate;ethyl 1-[(1,5-dimethylpyrazol-3-yl)methyl]-5-methylpyrazole-3-carboxylate;ethyl 5-methyl-1-[(1-methylpyrazol-3-yl)methyl]pyrazole-3-carboxylate;ethyl 5-methyl-1-(oxolan-2-ylmethyl)pyrazole-3-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(cyclobutylmethyl)-5-methylpyrazole-3-carboxylate;ethyl 1-(cyclohexylmethyl)-5-methylpyrazole-3-carboxylate;ethyl 1-(cyclopentylmethyl)-5-methylpyrazole-3-carboxylate;ethyl 1-(cyclopropylmethyl)-5-methylpyrazole-3-carboxylate;ethyl 1-[2-(3,5-difluorophenyl)ethyl]-5-methylpyrazole-3-carboxylate;ethyl 1-[(1,5-dimethylpyrazol-3-yl)methyl]-5-methylpyrazole-3-carboxylate;ethyl 5-methyl-1-[(1-methylpyrazol-3-yl)methyl]pyrazole-3-carboxylate;ethyl 5-methyl-1-(oxolan-2-ylmethyl)pyrazole-3-carboxylate?
The IUPAC name of ethyl 1-(cyclobutylmethyl)-5-methylpyrazole-3-carboxylate;ethyl 1-(cyclohexylmethyl)-5-methylpyrazole-3-carboxylate;ethyl 1-(cyclopentylmethyl)-5-methylpyrazole-3-carboxylate;ethyl 1-(cyclopropylmethyl)-5-methylpyrazole-3-carboxylate;ethyl 1-[2-(3,5-difluorophenyl)ethyl]-5-methylpyrazole-3-carboxylate;ethyl 1-[(1,5-dimethylpyrazol-3-yl)methyl]-5-methylpyrazole-3-carboxylate;ethyl 5-methyl-1-[(1-methylpyrazol-3-yl)methyl]pyrazole-3-carboxylate;ethyl 5-methyl-1-(oxolan-2-ylmethyl)pyrazole-3-carboxylate (CID 161257915) is ethyl 1-(cyclobutylmethyl)-5-methylpyrazole-3-carboxylate;ethyl 1-(cyclohexylmethyl)-5-methylpyrazole-3-carboxylate;ethyl 1-(cyclopentylmethyl)-5-methylpyrazole-3-carboxylate;ethyl 1-(cyclopropylmethyl)-5-methylpyrazole-3-carboxylate;ethyl 1-[2-(3,5-difluorophenyl)ethyl]-5-methylpyrazole-3-carboxylate;ethyl 1-[(1,5-dimethylpyrazol-3-yl)methyl]-5-methylpyrazole-3-carboxylate;ethyl 5-methyl-1-[(1-methylpyrazol-3-yl)methyl]pyrazole-3-carboxylate;ethyl 5-methyl-1-(oxolan-2-ylmethyl)pyrazole-3-carboxylate.
What is the SMILES notation for ethyl 1-(cyclobutylmethyl)-5-methylpyrazole-3-carboxylate;ethyl 1-(cyclohexylmethyl)-5-methylpyrazole-3-carboxylate;ethyl 1-(cyclopentylmethyl)-5-methylpyrazole-3-carboxylate;ethyl 1-(cyclopropylmethyl)-5-methylpyrazole-3-carboxylate;ethyl 1-[2-(3,5-difluorophenyl)ethyl]-5-methylpyrazole-3-carboxylate;ethyl 1-[(1,5-dimethylpyrazol-3-yl)methyl]-5-methylpyrazole-3-carboxylate;ethyl 5-methyl-1-[(1-methylpyrazol-3-yl)methyl]pyrazole-3-carboxylate;ethyl 5-methyl-1-(oxolan-2-ylmethyl)pyrazole-3-carboxylate?
The canonical SMILES for ethyl 1-(cyclobutylmethyl)-5-methylpyrazole-3-carboxylate;ethyl 1-(cyclohexylmethyl)-5-methylpyrazole-3-carboxylate;ethyl 1-(cyclopentylmethyl)-5-methylpyrazole-3-carboxylate;ethyl 1-(cyclopropylmethyl)-5-methylpyrazole-3-carboxylate;ethyl 1-[2-(3,5-difluorophenyl)ethyl]-5-methylpyrazole-3-carboxylate;ethyl 1-[(1,5-dimethylpyrazol-3-yl)methyl]-5-methylpyrazole-3-carboxylate;ethyl 5-methyl-1-[(1-methylpyrazol-3-yl)methyl]pyrazole-3-carboxylate;ethyl 5-methyl-1-(oxolan-2-ylmethyl)pyrazole-3-carboxylate is CCOC(=O)c1cc(C)n(CC2CC2)n1.CCOC(=O)c1cc(C)n(CC2CCC2)n1.CCOC(=O)c1cc(C)n(CC2CCCC2)n1.CCOC(=O)c1cc(C)n(CC2CCCCC2)n1.CCOC(=O)c1cc(C)n(CC2CCCO2)n1.CCOC(=O)c1cc(C)n(CCc2cc(F)cc(F)c2)n1.CCOC(=O)c1cc(C)n(Cc2cc(C)n(C)n2)n1.CCOC(=O)c1cc(C)n(Cc2ccn(C)n2)n1.
What is the InChIKey of ethyl 1-(cyclobutylmethyl)-5-methylpyrazole-3-carboxylate;ethyl 1-(cyclohexylmethyl)-5-methylpyrazole-3-carboxylate;ethyl 1-(cyclopentylmethyl)-5-methylpyrazole-3-carboxylate;ethyl 1-(cyclopropylmethyl)-5-methylpyrazole-3-carboxylate;ethyl 1-[2-(3,5-difluorophenyl)ethyl]-5-methylpyrazole-3-carboxylate;ethyl 1-[(1,5-dimethylpyrazol-3-yl)methyl]-5-methylpyrazole-3-carboxylate;ethyl 5-methyl-1-[(1-methylpyrazol-3-yl)methyl]pyrazole-3-carboxylate;ethyl 5-methyl-1-(oxolan-2-ylmethyl)pyrazole-3-carboxylate?
The InChIKey is VCECKDQZAWXWQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N2O2.C14H22N2O2.C13H18N4O2.C13H20N2O2.C12H16N4O2.C12H18N2O3.C12H18N2O2.C11H16N2O2/c1-3-21-15(20)14-6-10(2)19(18-14)5-4-11-7-12(16)9-13(17)8-11;1-3-18-14(17)13-9-11(2)16(15-13)10-12-7-5-4-6-8-12;1-5-19-13(18)12-7-10(3)17(15-12)8-11-6-9(2)16(4)14-11;1-3-17-13(16)12-8-10(2)15(14-12)9-11-6-4-5-7-11;1-4-18-12(17)11-7-9(2)16(14-11)8-10-5-6-15(3)13-10;1-3-16-12(15)11-7-9(2)14(13-11)8-10-5-4-6-17-10;1-3-16-12(15)11-7-9(2)14(13-11)8-10-5-4-6-10;1-3-15-11(14)10-6-8(2)13(12-10)7-9-4-5-9/h6-9H,3-5H2,1-2H3;9,12H,3-8,10H2,1-2H3;6-7H,5,8H2,1-4H3;8,11H,3-7,9H2,1-2H3;5-7H,4,8H2,1-3H3;7,10H,3-6,8H2,1-2H3;7,10H,3-6,8H2,1-2H3;6,9H,3-5,7H2,1-2H3.
What are the key properties of ethyl 1-(cyclobutylmethyl)-5-methylpyrazole-3-carboxylate;ethyl 1-(cyclohexylmethyl)-5-methylpyrazole-3-carboxylate;ethyl 1-(cyclopentylmethyl)-5-methylpyrazole-3-carboxylate;ethyl 1-(cyclopropylmethyl)-5-methylpyrazole-3-carboxylate;ethyl 1-[2-(3,5-difluorophenyl)ethyl]-5-methylpyrazole-3-carboxylate;ethyl 1-[(1,5-dimethylpyrazol-3-yl)methyl]-5-methylpyrazole-3-carboxylate;ethyl 5-methyl-1-[(1-methylpyrazol-3-yl)methyl]pyrazole-3-carboxylate;ethyl 5-methyl-1-(oxolan-2-ylmethyl)pyrazole-3-carboxylate?
ethyl 1-(cyclobutylmethyl)-5-methylpyrazole-3-carboxylate;ethyl 1-(cyclohexylmethyl)-5-methylpyrazole-3-carboxylate;ethyl 1-(cyclopentylmethyl)-5-methylpyrazole-3-carboxylate;ethyl 1-(cyclopropylmethyl)-5-methylpyrazole-3-carboxylate;ethyl 1-[2-(3,5-difluorophenyl)ethyl]-5-methylpyrazole-3-carboxylate;ethyl 1-[(1,5-dimethylpyrazol-3-yl)methyl]-5-methylpyrazole-3-carboxylate;ethyl 5-methyl-1-[(1-methylpyrazol-3-yl)methyl]pyrazole-3-carboxylate;ethyl 5-methyl-1-(oxolan-2-ylmethyl)pyrazole-3-carboxylate has a molecular weight of 1960.39 g/mol, XLogP of 16.50, 33 rotatable bonds, 0 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(cyclobutylmethyl)-5-methylpyrazole-3-carboxylate;ethyl 1-(cyclohexylmethyl)-5-methylpyrazole-3-carboxylate;ethyl 1-(cyclopentylmethyl)-5-methylpyrazole-3-carboxylate;ethyl 1-(cyclopropylmethyl)-5-methylpyrazole-3-carboxylate;ethyl 1-[2-(3,5-difluorophenyl)ethyl]-5-methylpyrazole-3-carboxylate;ethyl 1-[(1,5-dimethylpyrazol-3-yl)methyl]-5-methylpyrazole-3-carboxylate;ethyl 5-methyl-1-[(1-methylpyrazol-3-yl)methyl]pyrazole-3-carboxylate;ethyl 5-methyl-1-(oxolan-2-ylmethyl)pyrazole-3-carboxylate is sourced from PubChem (CID 161257915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).