ethyl 1-benzyl-5-methylpyrazole-3-carboxylate;ethyl 1-(cyclohexylmethyl)-5-methylpyrazole-3-carboxylate;ethyl 1-[(2,4-difluorophenyl)methyl]-5-methylpyrazole-3-carboxylate;ethyl 1-[(2,5-difluorophenyl)methyl]-5-methylpyrazole-3-carboxylate;ethyl 1-[(3,4-difluorophenyl)methyl]-5-methylpyrazole-3-carboxylate;ethyl 1-[(3,5-difluorophenyl)methyl]-5-methylpyrazole-3-carboxylate;ethyl 1-[(2-fluorophenyl)methyl]-5-methylpyrazole-3-carboxylate;ethyl 5-methyl-1-[(2-methylphenyl)methyl]pyrazole-3-carboxylate;ethyl 5-methyl-1-[(4-methylphenyl)methyl]pyrazole-3-carboxylate;ethyl 5-methyl-1-[(6-methyl-3-pyridinyl)methyl]pyrazole-3-carboxylate;ethyl 5-methyl-1-(1-phenylethyl)pyrazole-3-carboxylate;ethyl 5-methyl-1-(2-phenylethyl)pyrazole-3-carboxylate

C172H198F9N25O24 — CID 158394918

IUPACethyl 1-benzyl-5-methylpyrazole-3-carboxylate;ethyl 1-(cyclohexylmethyl)-5-methylpyrazole-3-carboxylate;ethyl 1-[(2,4-difluorophenyl)methyl]-5-methylpyrazole-3-carboxylate;ethyl 1-[(2,5-difluorophenyl)methyl]-5-methylpyrazole-3-carboxylate;ethyl 1-[(3,4-difluorophenyl)methyl]-5-methylpyrazole-3-carboxylate;ethyl 1-[(3,5-difluorophenyl)methyl]-5-methylpyrazole-3-carboxylate;ethyl 1-[(2-fluorophenyl)methyl]-5-methylpyrazole-3-carboxylate;ethyl 5-methyl-1-[(2-methylphenyl)methyl]pyrazole-3-carboxylate;ethyl 5-methyl-1-[(4-methylphenyl)methyl]pyrazole-3-carboxylate;ethyl 5-methyl-1-[(6-methyl-3-pyridinyl)methyl]pyrazole-3-carboxylate;ethyl 5-methyl-1-(1-phenylethyl)pyrazole-3-carboxylate;ethyl 5-methyl-1-(2-phenylethyl)pyrazole-3-carboxylate
SMILESCCOC(=O)c1cc(C)n(C(C)c2ccccc2)n1.CCOC(=O)c1cc(C)n(CC2CCCCC2)n1.CCOC(=O)c1cc(C)n(CCc2ccccc2)n1.CCOC(=O)c1cc(C)n(Cc2cc(F)cc(F)c2)n1.CCOC(=O)c1cc(C)n(Cc2cc(F)ccc2F)n1.CCOC(=O)c1cc(C)n(Cc2ccc(C)cc2)n1.CCOC(=O)c1cc(C)n(Cc2ccc(C)nc2)n1.CCOC(=O)c1cc(C)n(Cc2ccc(F)c(F)c2)n1.CCOC(=O)c1cc(C)n(Cc2ccc(F)cc2F)n1.CCOC(=O)c1cc(C)n(Cc2ccccc2)n1.CCOC(=O)c1cc(C)n(Cc2ccccc2C)n1.CCOC(=O)c1cc(C)n(Cc2ccccc2F)n1
InChIInChI=1S/4C15H18N2O2.4C14H14F2N2O2.C14H15FN2O2.C14H17N3O2.C14H22N2O2.C14H16N2O2/c1-4-19-15(18)14-9-12(3)17(16-14)10-13-7-5-11(2)6-8-13;1-4-19-15(18)14-9-12(3)17(16-14)10-13-8-6-5-7-11(13)2;1-4-19-15(18)14-10-11(2)17(16-14)12(3)13-8-6-5-7-9-13;1-3-19-15(18)14-11-12(2)17(16-14)10-9-13-7-5-4-6-8-13;1-3-20-14(19)13-4-9(2)18(17-13)8-10-5-11(15)7-12(16)6-10;1-3-20-14(19)13-6-9(2)18(17-13)8-10-7-11(15)4-5-12(10)16;1-3-20-14(19)13-6-9(2)18(17-13)8-10-4-5-11(15)7-12(10)16;1-3-20-14(19)13-6-9(2)18(17-13)8-10-4-5-11(15)12(16)7-10;1-3-19-14(18)13-8-10(2)17(16-13)9-11-6-4-5-7-12(11)15;1-4-19-14(18)13-7-11(3)17(16-13)9-12-6-5-10(2)15-8-12;2*1-3-18-14(17)13-9-11(2)16(15-13)10-12-7-5-4-6-8-12/h2*5-9H,4,10H2,1-3H3;5-10,12H,4H2,1-3H3;4-8,11H,3,9-10H2,1-2H3;4*4-7H,3,8H2,1-2H3;4-8H,3,9H2,1-2H3;5-8H,4,9H2,1-3H3;9,12H,3-8,10H2,1-2H3;4-9H,3,10H2,1-2H3
InChIKeyGXKTVMJOHRJBIV-UHFFFAOYSA-N
MW3170.61 g/mol
LogP31.86
Rot. Bonds49

About ethyl 1-benzyl-5-methylpyrazole-3-carboxylate;ethyl 1-(cyclohexylmethyl)-5-methylpyrazole-3-carboxylate;ethyl 1-[(2,4-difluorophenyl)methyl]-5-methylpyrazole-3-carboxylate;ethyl 1-[(2,5-difluorophenyl)methyl]-5-methylpyrazole-3-carboxylate;ethyl 1-[(3,4-difluorophenyl)methyl]-5-methylpyrazole-3-carboxylate;ethyl 1-[(3,5-difluorophenyl)methyl]-5-methylpyrazole-3-carboxylate;ethyl 1-[(2-fluorophenyl)methyl]-5-methylpyrazole-3-carboxylate;ethyl 5-methyl-1-[(2-methylphenyl)methyl]pyrazole-3-carboxylate;ethyl 5-methyl-1-[(4-methylphenyl)methyl]pyrazole-3-carboxylate;ethyl 5-methyl-1-[(6-methyl-3-pyridinyl)methyl]pyrazole-3-carboxylate;ethyl 5-methyl-1-(1-phenylethyl)pyrazole-3-carboxylate;ethyl 5-methyl-1-(2-phenylethyl)pyrazole-3-carboxylate

ethyl 1-benzyl-5-methylpyrazole-3-carboxylate;ethyl 1-(cyclohexylmethyl)-5-methylpyrazole-3-carboxylate;ethyl 1-[(2,4-difluorophenyl)methyl]-5-methylpyrazole-3-carboxylate;ethyl 1-[(2,5-difluorophenyl)methyl]-5-methylpyrazole-3-carboxylate;ethyl 1-[(3,4-difluorophenyl)methyl]-5-methylpyrazole-3-carboxylate;ethyl 1-[(3,5-difluorophenyl)methyl]-5-methylpyrazole-3-carboxylate;ethyl 1-[(2-fluorophenyl)methyl]-5-methylpyrazole-3-carboxylate;ethyl 5-methyl-1-[(2-methylphenyl)methyl]pyrazole-3-carboxylate;ethyl 5-methyl-1-[(4-methylphenyl)methyl]pyrazole-3-carboxylate;ethyl 5-methyl-1-[(6-methyl-3-pyridinyl)methyl]pyrazole-3-carboxylate;ethyl 5-methyl-1-(1-phenylethyl)pyrazole-3-carboxylate;ethyl 5-methyl-1-(2-phenylethyl)pyrazole-3-carboxylate (PubChem CID 158394918) has the molecular formula C172H198F9N25O24 and a molecular weight of 3170.61 g/mol. Its IUPAC name is ethyl 1-benzyl-5-methylpyrazole-3-carboxylate;ethyl 1-(cyclohexylmethyl)-5-methylpyrazole-3-carboxylate;ethyl 1-[(2,4-difluorophenyl)methyl]-5-methylpyrazole-3-carboxylate;ethyl 1-[(2,5-difluorophenyl)methyl]-5-methylpyrazole-3-carboxylate;ethyl 1-[(3,4-difluorophenyl)methyl]-5-methylpyrazole-3-carboxylate;ethyl 1-[(3,5-difluorophenyl)methyl]-5-methylpyrazole-3-carboxylate;ethyl 1-[(2-fluorophenyl)methyl]-5-methylpyrazole-3-carboxylate;ethyl 5-methyl-1-[(2-methylphenyl)methyl]pyrazole-3-carboxylate;ethyl 5-methyl-1-[(4-methylphenyl)methyl]pyrazole-3-carboxylate;ethyl 5-methyl-1-[(6-methyl-3-pyridinyl)methyl]pyrazole-3-carboxylate;ethyl 5-methyl-1-(1-phenylethyl)pyrazole-3-carboxylate;ethyl 5-methyl-1-(2-phenylethyl)pyrazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-benzyl-5-methylpyrazole-3-carboxylate;ethyl 1-(cyclohexylmethyl)-5-methylpyrazole-3-carboxylate;ethyl 1-[(2,4-difluorophenyl)methyl]-5-methylpyrazole-3-carboxylate;ethyl 1-[(2,5-difluorophenyl)methyl]-5-methylpyrazole-3-carboxylate;ethyl 1-[(3,4-difluorophenyl)methyl]-5-methylpyrazole-3-carboxylate;ethyl 1-[(3,5-difluorophenyl)methyl]-5-methylpyrazole-3-carboxylate;ethyl 1-[(2-fluorophenyl)methyl]-5-methylpyrazole-3-carboxylate;ethyl 5-methyl-1-[(2-methylphenyl)methyl]pyrazole-3-carboxylate;ethyl 5-methyl-1-[(4-methylphenyl)methyl]pyrazole-3-carboxylate;ethyl 5-methyl-1-[(6-methyl-3-pyridinyl)methyl]pyrazole-3-carboxylate;ethyl 5-methyl-1-(1-phenylethyl)pyrazole-3-carboxylate;ethyl 5-methyl-1-(2-phenylethyl)pyrazole-3-carboxylate
PubChem CID158394918
Molecular FormulaC172H198F9N25O24
Molecular Weight3170.61 g/mol
Exact Mass3168.49
IUPAC Nameethyl 1-benzyl-5-methylpyrazole-3-carboxylate;ethyl 1-(cyclohexylmethyl)-5-methylpyrazole-3-carboxylate;ethyl 1-[(2,4-difluorophenyl)methyl]-5-methylpyrazole-3-carboxylate;ethyl 1-[(2,5-difluorophenyl)methyl]-5-methylpyrazole-3-carboxylate;ethyl 1-[(3,4-difluorophenyl)methyl]-5-methylpyrazole-3-carboxylate;ethyl 1-[(3,5-difluorophenyl)methyl]-5-methylpyrazole-3-carboxylate;ethyl 1-[(2-fluorophenyl)methyl]-5-methylpyrazole-3-carboxylate;ethyl 5-methyl-1-[(2-methylphenyl)methyl]pyrazole-3-carboxylate;ethyl 5-methyl-1-[(4-methylphenyl)methyl]pyrazole-3-carboxylate;ethyl 5-methyl-1-[(6-methyl-3-pyridinyl)methyl]pyrazole-3-carboxylate;ethyl 5-methyl-1-(1-phenylethyl)pyrazole-3-carboxylate;ethyl 5-methyl-1-(2-phenylethyl)pyrazole-3-carboxylate
SMILESCCOC(=O)c1cc(C)n(C(C)c2ccccc2)n1.CCOC(=O)c1cc(C)n(CC2CCCCC2)n1.CCOC(=O)c1cc(C)n(CCc2ccccc2)n1.CCOC(=O)c1cc(C)n(Cc2cc(F)cc(F)c2)n1.CCOC(=O)c1cc(C)n(Cc2cc(F)ccc2F)n1.CCOC(=O)c1cc(C)n(Cc2ccc(C)cc2)n1.CCOC(=O)c1cc(C)n(Cc2ccc(C)nc2)n1.CCOC(=O)c1cc(C)n(Cc2ccc(F)c(F)c2)n1.CCOC(=O)c1cc(C)n(Cc2ccc(F)cc2F)n1.CCOC(=O)c1cc(C)n(Cc2ccccc2)n1.CCOC(=O)c1cc(C)n(Cc2ccccc2C)n1.CCOC(=O)c1cc(C)n(Cc2ccccc2F)n1
InChIInChI=1S/4C15H18N2O2.4C14H14F2N2O2.C14H15FN2O2.C14H17N3O2.C14H22N2O2.C14H16N2O2/c1-4-19-15(18)14-9-12(3)17(16-14)10-13-7-5-11(2)6-8-13;1-4-19-15(18)14-9-12(3)17(16-14)10-13-8-6-5-7-11(13)2;1-4-19-15(18)14-10-11(2)17(16-14)12(3)13-8-6-5-7-9-13;1-3-19-15(18)14-11-12(2)17(16-14)10-9-13-7-5-4-6-8-13;1-3-20-14(19)13-4-9(2)18(17-13)8-10-5-11(15)7-12(16)6-10;1-3-20-14(19)13-6-9(2)18(17-13)8-10-7-11(15)4-5-12(10)16;1-3-20-14(19)13-6-9(2)18(17-13)8-10-4-5-11(15)7-12(10)16;1-3-20-14(19)13-6-9(2)18(17-13)8-10-4-5-11(15)12(16)7-10;1-3-19-14(18)13-8-10(2)17(16-13)9-11-6-4-5-7-12(11)15;1-4-19-14(18)13-7-11(3)17(16-13)9-12-6-5-10(2)15-8-12;2*1-3-18-14(17)13-9-11(2)16(15-13)10-12-7-5-4-6-8-12/h2*5-9H,4,10H2,1-3H3;5-10,12H,4H2,1-3H3;4-8,11H,3,9-10H2,1-2H3;4*4-7H,3,8H2,1-2H3;4-8H,3,9H2,1-2H3;5-8H,4,9H2,1-3H3;9,12H,3-8,10H2,1-2H3;4-9H,3,10H2,1-2H3
InChIKeyGXKTVMJOHRJBIV-UHFFFAOYSA-N
XLogP31.86
TPSA542.33 Ų
H-Bond Donors
H-Bond Acceptors49
Rotatable Bonds49
Heavy Atoms230
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003170.61
LogP ≤ 531.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1049

Computed Properties (RDKit)

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

Analyze ethyl 1-benzyl-5-methylpyrazole-3-carboxylate;ethyl 1-(cyclohexylmethyl)-5-methylpyrazole-3-carboxylate;ethyl 1-[(2,4-difluorophenyl)methyl]-5-methylpyrazole-3-carboxylate;ethyl 1-[(2,5-difluorophenyl)methyl]-5-methylpyrazole-3-carboxylate;ethyl 1-[(3,4-difluorophenyl)methyl]-5-methylpyrazole-3-carboxylate;ethyl 1-[(3,5-difluorophenyl)methyl]-5-methylpyrazole-3-carboxylate;ethyl 1-[(2-fluorophenyl)methyl]-5-methylpyrazole-3-carboxylate;ethyl 5-methyl-1-[(2-methylphenyl)methyl]pyrazole-3-carboxylate;ethyl 5-methyl-1-[(4-methylphenyl)methyl]pyrazole-3-carboxylate;ethyl 5-methyl-1-[(6-methyl-3-pyridinyl)methyl]pyrazole-3-carboxylate;ethyl 5-methyl-1-(1-phenylethyl)pyrazole-3-carboxylate;ethyl 5-methyl-1-(2-phenylethyl)pyrazole-3-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-benzyl-5-methylpyrazole-3-carboxylate;ethyl 1-(cyclohexylmethyl)-5-methylpyrazole-3-carboxylate;ethyl 1-[(2,4-difluorophenyl)methyl]-5-methylpyrazole-3-carboxylate;ethyl 1-[(2,5-difluorophenyl)methyl]-5-methylpyrazole-3-carboxylate;ethyl 1-[(3,4-difluorophenyl)methyl]-5-methylpyrazole-3-carboxylate;ethyl 1-[(3,5-difluorophenyl)methyl]-5-methylpyrazole-3-carboxylate;ethyl 1-[(2-fluorophenyl)methyl]-5-methylpyrazole-3-carboxylate;ethyl 5-methyl-1-[(2-methylphenyl)methyl]pyrazole-3-carboxylate;ethyl 5-methyl-1-[(4-methylphenyl)methyl]pyrazole-3-carboxylate;ethyl 5-methyl-1-[(6-methyl-3-pyridinyl)methyl]pyrazole-3-carboxylate;ethyl 5-methyl-1-(1-phenylethyl)pyrazole-3-carboxylate;ethyl 5-methyl-1-(2-phenylethyl)pyrazole-3-carboxylate?
The IUPAC name of ethyl 1-benzyl-5-methylpyrazole-3-carboxylate;ethyl 1-(cyclohexylmethyl)-5-methylpyrazole-3-carboxylate;ethyl 1-[(2,4-difluorophenyl)methyl]-5-methylpyrazole-3-carboxylate;ethyl 1-[(2,5-difluorophenyl)methyl]-5-methylpyrazole-3-carboxylate;ethyl 1-[(3,4-difluorophenyl)methyl]-5-methylpyrazole-3-carboxylate;ethyl 1-[(3,5-difluorophenyl)methyl]-5-methylpyrazole-3-carboxylate;ethyl 1-[(2-fluorophenyl)methyl]-5-methylpyrazole-3-carboxylate;ethyl 5-methyl-1-[(2-methylphenyl)methyl]pyrazole-3-carboxylate;ethyl 5-methyl-1-[(4-methylphenyl)methyl]pyrazole-3-carboxylate;ethyl 5-methyl-1-[(6-methyl-3-pyridinyl)methyl]pyrazole-3-carboxylate;ethyl 5-methyl-1-(1-phenylethyl)pyrazole-3-carboxylate;ethyl 5-methyl-1-(2-phenylethyl)pyrazole-3-carboxylate (CID 158394918) is ethyl 1-benzyl-5-methylpyrazole-3-carboxylate;ethyl 1-(cyclohexylmethyl)-5-methylpyrazole-3-carboxylate;ethyl 1-[(2,4-difluorophenyl)methyl]-5-methylpyrazole-3-carboxylate;ethyl 1-[(2,5-difluorophenyl)methyl]-5-methylpyrazole-3-carboxylate;ethyl 1-[(3,4-difluorophenyl)methyl]-5-methylpyrazole-3-carboxylate;ethyl 1-[(3,5-difluorophenyl)methyl]-5-methylpyrazole-3-carboxylate;ethyl 1-[(2-fluorophenyl)methyl]-5-methylpyrazole-3-carboxylate;ethyl 5-methyl-1-[(2-methylphenyl)methyl]pyrazole-3-carboxylate;ethyl 5-methyl-1-[(4-methylphenyl)methyl]pyrazole-3-carboxylate;ethyl 5-methyl-1-[(6-methyl-3-pyridinyl)methyl]pyrazole-3-carboxylate;ethyl 5-methyl-1-(1-phenylethyl)pyrazole-3-carboxylate;ethyl 5-methyl-1-(2-phenylethyl)pyrazole-3-carboxylate.
What is the SMILES notation for ethyl 1-benzyl-5-methylpyrazole-3-carboxylate;ethyl 1-(cyclohexylmethyl)-5-methylpyrazole-3-carboxylate;ethyl 1-[(2,4-difluorophenyl)methyl]-5-methylpyrazole-3-carboxylate;ethyl 1-[(2,5-difluorophenyl)methyl]-5-methylpyrazole-3-carboxylate;ethyl 1-[(3,4-difluorophenyl)methyl]-5-methylpyrazole-3-carboxylate;ethyl 1-[(3,5-difluorophenyl)methyl]-5-methylpyrazole-3-carboxylate;ethyl 1-[(2-fluorophenyl)methyl]-5-methylpyrazole-3-carboxylate;ethyl 5-methyl-1-[(2-methylphenyl)methyl]pyrazole-3-carboxylate;ethyl 5-methyl-1-[(4-methylphenyl)methyl]pyrazole-3-carboxylate;ethyl 5-methyl-1-[(6-methyl-3-pyridinyl)methyl]pyrazole-3-carboxylate;ethyl 5-methyl-1-(1-phenylethyl)pyrazole-3-carboxylate;ethyl 5-methyl-1-(2-phenylethyl)pyrazole-3-carboxylate?
The canonical SMILES for ethyl 1-benzyl-5-methylpyrazole-3-carboxylate;ethyl 1-(cyclohexylmethyl)-5-methylpyrazole-3-carboxylate;ethyl 1-[(2,4-difluorophenyl)methyl]-5-methylpyrazole-3-carboxylate;ethyl 1-[(2,5-difluorophenyl)methyl]-5-methylpyrazole-3-carboxylate;ethyl 1-[(3,4-difluorophenyl)methyl]-5-methylpyrazole-3-carboxylate;ethyl 1-[(3,5-difluorophenyl)methyl]-5-methylpyrazole-3-carboxylate;ethyl 1-[(2-fluorophenyl)methyl]-5-methylpyrazole-3-carboxylate;ethyl 5-methyl-1-[(2-methylphenyl)methyl]pyrazole-3-carboxylate;ethyl 5-methyl-1-[(4-methylphenyl)methyl]pyrazole-3-carboxylate;ethyl 5-methyl-1-[(6-methyl-3-pyridinyl)methyl]pyrazole-3-carboxylate;ethyl 5-methyl-1-(1-phenylethyl)pyrazole-3-carboxylate;ethyl 5-methyl-1-(2-phenylethyl)pyrazole-3-carboxylate is CCOC(=O)c1cc(C)n(C(C)c2ccccc2)n1.CCOC(=O)c1cc(C)n(CC2CCCCC2)n1.CCOC(=O)c1cc(C)n(CCc2ccccc2)n1.CCOC(=O)c1cc(C)n(Cc2cc(F)cc(F)c2)n1.CCOC(=O)c1cc(C)n(Cc2cc(F)ccc2F)n1.CCOC(=O)c1cc(C)n(Cc2ccc(C)cc2)n1.CCOC(=O)c1cc(C)n(Cc2ccc(C)nc2)n1.CCOC(=O)c1cc(C)n(Cc2ccc(F)c(F)c2)n1.CCOC(=O)c1cc(C)n(Cc2ccc(F)cc2F)n1.CCOC(=O)c1cc(C)n(Cc2ccccc2)n1.CCOC(=O)c1cc(C)n(Cc2ccccc2C)n1.CCOC(=O)c1cc(C)n(Cc2ccccc2F)n1.
What is the InChIKey of ethyl 1-benzyl-5-methylpyrazole-3-carboxylate;ethyl 1-(cyclohexylmethyl)-5-methylpyrazole-3-carboxylate;ethyl 1-[(2,4-difluorophenyl)methyl]-5-methylpyrazole-3-carboxylate;ethyl 1-[(2,5-difluorophenyl)methyl]-5-methylpyrazole-3-carboxylate;ethyl 1-[(3,4-difluorophenyl)methyl]-5-methylpyrazole-3-carboxylate;ethyl 1-[(3,5-difluorophenyl)methyl]-5-methylpyrazole-3-carboxylate;ethyl 1-[(2-fluorophenyl)methyl]-5-methylpyrazole-3-carboxylate;ethyl 5-methyl-1-[(2-methylphenyl)methyl]pyrazole-3-carboxylate;ethyl 5-methyl-1-[(4-methylphenyl)methyl]pyrazole-3-carboxylate;ethyl 5-methyl-1-[(6-methyl-3-pyridinyl)methyl]pyrazole-3-carboxylate;ethyl 5-methyl-1-(1-phenylethyl)pyrazole-3-carboxylate;ethyl 5-methyl-1-(2-phenylethyl)pyrazole-3-carboxylate?
The InChIKey is GXKTVMJOHRJBIV-UHFFFAOYSA-N. The full InChI is InChI=1S/4C15H18N2O2.4C14H14F2N2O2.C14H15FN2O2.C14H17N3O2.C14H22N2O2.C14H16N2O2/c1-4-19-15(18)14-9-12(3)17(16-14)10-13-7-5-11(2)6-8-13;1-4-19-15(18)14-9-12(3)17(16-14)10-13-8-6-5-7-11(13)2;1-4-19-15(18)14-10-11(2)17(16-14)12(3)13-8-6-5-7-9-13;1-3-19-15(18)14-11-12(2)17(16-14)10-9-13-7-5-4-6-8-13;1-3-20-14(19)13-4-9(2)18(17-13)8-10-5-11(15)7-12(16)6-10;1-3-20-14(19)13-6-9(2)18(17-13)8-10-7-11(15)4-5-12(10)16;1-3-20-14(19)13-6-9(2)18(17-13)8-10-4-5-11(15)7-12(10)16;1-3-20-14(19)13-6-9(2)18(17-13)8-10-4-5-11(15)12(16)7-10;1-3-19-14(18)13-8-10(2)17(16-13)9-11-6-4-5-7-12(11)15;1-4-19-14(18)13-7-11(3)17(16-13)9-12-6-5-10(2)15-8-12;2*1-3-18-14(17)13-9-11(2)16(15-13)10-12-7-5-4-6-8-12/h2*5-9H,4,10H2,1-3H3;5-10,12H,4H2,1-3H3;4-8,11H,3,9-10H2,1-2H3;4*4-7H,3,8H2,1-2H3;4-8H,3,9H2,1-2H3;5-8H,4,9H2,1-3H3;9,12H,3-8,10H2,1-2H3;4-9H,3,10H2,1-2H3.
What are the key properties of ethyl 1-benzyl-5-methylpyrazole-3-carboxylate;ethyl 1-(cyclohexylmethyl)-5-methylpyrazole-3-carboxylate;ethyl 1-[(2,4-difluorophenyl)methyl]-5-methylpyrazole-3-carboxylate;ethyl 1-[(2,5-difluorophenyl)methyl]-5-methylpyrazole-3-carboxylate;ethyl 1-[(3,4-difluorophenyl)methyl]-5-methylpyrazole-3-carboxylate;ethyl 1-[(3,5-difluorophenyl)methyl]-5-methylpyrazole-3-carboxylate;ethyl 1-[(2-fluorophenyl)methyl]-5-methylpyrazole-3-carboxylate;ethyl 5-methyl-1-[(2-methylphenyl)methyl]pyrazole-3-carboxylate;ethyl 5-methyl-1-[(4-methylphenyl)methyl]pyrazole-3-carboxylate;ethyl 5-methyl-1-[(6-methyl-3-pyridinyl)methyl]pyrazole-3-carboxylate;ethyl 5-methyl-1-(1-phenylethyl)pyrazole-3-carboxylate;ethyl 5-methyl-1-(2-phenylethyl)pyrazole-3-carboxylate?
ethyl 1-benzyl-5-methylpyrazole-3-carboxylate;ethyl 1-(cyclohexylmethyl)-5-methylpyrazole-3-carboxylate;ethyl 1-[(2,4-difluorophenyl)methyl]-5-methylpyrazole-3-carboxylate;ethyl 1-[(2,5-difluorophenyl)methyl]-5-methylpyrazole-3-carboxylate;ethyl 1-[(3,4-difluorophenyl)methyl]-5-methylpyrazole-3-carboxylate;ethyl 1-[(3,5-difluorophenyl)methyl]-5-methylpyrazole-3-carboxylate;ethyl 1-[(2-fluorophenyl)methyl]-5-methylpyrazole-3-carboxylate;ethyl 5-methyl-1-[(2-methylphenyl)methyl]pyrazole-3-carboxylate;ethyl 5-methyl-1-[(4-methylphenyl)methyl]pyrazole-3-carboxylate;ethyl 5-methyl-1-[(6-methyl-3-pyridinyl)methyl]pyrazole-3-carboxylate;ethyl 5-methyl-1-(1-phenylethyl)pyrazole-3-carboxylate;ethyl 5-methyl-1-(2-phenylethyl)pyrazole-3-carboxylate has a molecular weight of 3170.61 g/mol, XLogP of 31.86, 49 rotatable bonds, 0 hydrogen bond donors, and 49 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-benzyl-5-methylpyrazole-3-carboxylate;ethyl 1-(cyclohexylmethyl)-5-methylpyrazole-3-carboxylate;ethyl 1-[(2,4-difluorophenyl)methyl]-5-methylpyrazole-3-carboxylate;ethyl 1-[(2,5-difluorophenyl)methyl]-5-methylpyrazole-3-carboxylate;ethyl 1-[(3,4-difluorophenyl)methyl]-5-methylpyrazole-3-carboxylate;ethyl 1-[(3,5-difluorophenyl)methyl]-5-methylpyrazole-3-carboxylate;ethyl 1-[(2-fluorophenyl)methyl]-5-methylpyrazole-3-carboxylate;ethyl 5-methyl-1-[(2-methylphenyl)methyl]pyrazole-3-carboxylate;ethyl 5-methyl-1-[(4-methylphenyl)methyl]pyrazole-3-carboxylate;ethyl 5-methyl-1-[(6-methyl-3-pyridinyl)methyl]pyrazole-3-carboxylate;ethyl 5-methyl-1-(1-phenylethyl)pyrazole-3-carboxylate;ethyl 5-methyl-1-(2-phenylethyl)pyrazole-3-carboxylate is sourced from PubChem (CID 158394918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).