[1-[(2-chlorophenyl)methyl]-5-phenylpyrazol-3-yl]methanol;2-[[1-[(2-chlorophenyl)methyl]-5-phenylpyrazol-3-yl]methoxy]-2-methylpropanoic acid;methyl 1-[(2-chlorophenyl)methyl]-5-phenylpyrazole-3-carboxylate;methyl 2-[[1-[(2-chlorophenyl)methyl]-5-phenylpyrazol-3-yl]methoxy]-2-methylpropanoate;methyl 3-phenyl-1H-pyrazole-5-carboxylate

C89H84Cl4N10O11 — CID 159268274

About [1-[(2-chlorophenyl)methyl]-5-phenylpyrazol-3-yl]methanol;2-[[1-[(2-chlorophenyl)methyl]-5-phenylpyrazol-3-yl]methoxy]-2-methylpropanoic acid;methyl 1-[(2-chlorophenyl)methyl]-5-phenylpyrazole-3-carboxylate;methyl 2-[[1-[(2-chlorophenyl)methyl]-5-phenylpyrazol-3-yl]methoxy]-2-methylpropanoate;methyl 3-phenyl-1H-pyrazole-5-carboxylate

[1-[(2-chlorophenyl)methyl]-5-phenylpyrazol-3-yl]methanol;2-[[1-[(2-chlorophenyl)methyl]-5-phenylpyrazol-3-yl]methoxy]-2-methylpropanoic acid;methyl 1-[(2-chlorophenyl)methyl]-5-phenylpyrazole-3-carboxylate;methyl 2-[[1-[(2-chlorophenyl)methyl]-5-phenylpyrazol-3-yl]methoxy]-2-methylpropanoate;methyl 3-phenyl-1H-pyrazole-5-carboxylate (PubChem CID 159268274) has the molecular formula C89H84Cl4N10O11 and a molecular weight of 1611.52 g/mol. Its IUPAC name is [1-[(2-chlorophenyl)methyl]-5-phenylpyrazol-3-yl]methanol;2-[[1-[(2-chlorophenyl)methyl]-5-phenylpyrazol-3-yl]methoxy]-2-methylpropanoic acid;methyl 1-[(2-chlorophenyl)methyl]-5-phenylpyrazole-3-carboxylate;methyl 2-[[1-[(2-chlorophenyl)methyl]-5-phenylpyrazol-3-yl]methoxy]-2-methylpropanoate;methyl 3-phenyl-1H-pyrazole-5-carboxylate.

Molecular Properties

• Compound Name: [1-[(2-chlorophenyl)methyl]-5-phenylpyrazol-3-yl]methanol;2-[[1-[(2-chlorophenyl)methyl]-5-phenylpyrazol-3-yl]methoxy]-2-methylpropanoic acid;methyl 1-[(2-chlorophenyl)methyl]-5-phenylpyrazole-3-carboxylate;methyl 2-[[1-[(2-chlorophenyl)methyl]-5-phenylpyrazol-3-yl]methoxy]-2-methylpropanoate;methyl 3-phenyl-1H-pyrazole-5-carboxylate
• PubChem CID: 159268274
• Molecular Formula: C89H84Cl4N10O11
• Molecular Weight: 1611.52 g/mol
• Exact Mass: 1608.51
• IUPAC Name: [1-[(2-chlorophenyl)methyl]-5-phenylpyrazol-3-yl]methanol;2-[[1-[(2-chlorophenyl)methyl]-5-phenylpyrazol-3-yl]methoxy]-2-methylpropanoic acid;methyl 1-[(2-chlorophenyl)methyl]-5-phenylpyrazole-3-carboxylate;methyl 2-[[1-[(2-chlorophenyl)methyl]-5-phenylpyrazol-3-yl]methoxy]-2-methylpropanoate;methyl 3-phenyl-1H-pyrazole-5-carboxylate
• SMILES: CC(C)(OCc1cc(-c2ccccc2)n(Cc2ccccc2Cl)n1)C(=O)O.COC(=O)C(C)(C)OCc1cc(-c2ccccc2)n(Cc2ccccc2Cl)n1.COC(=O)c1cc(-c2ccccc2)n(Cc2ccccc2Cl)n1.COC(=O)c1cc(-c2ccccc2)n[nH]1.OCc1cc(-c2ccccc2)n(Cc2ccccc2Cl)n1
• InChI: InChI=1S/C22H23ClN2O3.C21H21ClN2O3.C18H15ClN2O2.C17H15ClN2O.C11H10N2O2/c1-22(2,21(26)27-3)28-15-18-13-20(16-9-5-4-6-10-16)25(24-18)14-17-11-7-8-12-19(17)23;1-21(2,20(25)26)27-14-17-12-19(15-8-4-3-5-9-15)24(23-17)13-16-10-6-7-11-18(16)22;1-23-18(22)16-11-17(13-7-3-2-4-8-13)21(20-16)12-14-9-5-6-10-15(14)19;18-16-9-5-4-8-14(16)11-20-17(10-15(12-21)19-20)13-6-2-1-3-7-13;1-15-11(14)10-7-9(12-13-10)8-5-3-2-4-6-8/h4-13H,14-15H2,1-3H3;3-12H,13-14H2,1-2H3,(H,25,26);2-11H,12H2,1H3;1-10,21H,11-12H2;2-7H,1H3,(H,12,13)
• InChIKey: KXJNPNSLXXEZEK-UHFFFAOYSA-N
• XLogP: 19.00
• TPSA: 254.85 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 19
• Rotatable Bonds: 24
• Heavy Atoms: 114
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1611.52
LogP ≤ 5	19.00
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [1-[(2-chlorophenyl)methyl]-5-phenylpyrazol-3-yl]methanol;2-[[1-[(2-chlorophenyl)methyl]-5-phenylpyrazol-3-yl]methoxy]-2-methylpropanoic acid;methyl 1-[(2-chlorophenyl)methyl]-5-phenylpyrazole-3-carboxylate;methyl 2-[[1-[(2-chlorophenyl)methyl]-5-phenylpyrazol-3-yl]methoxy]-2-methylpropanoate;methyl 3-phenyl-1H-pyrazole-5-carboxylate?

The IUPAC name of [1-[(2-chlorophenyl)methyl]-5-phenylpyrazol-3-yl]methanol;2-[[1-[(2-chlorophenyl)methyl]-5-phenylpyrazol-3-yl]methoxy]-2-methylpropanoic acid;methyl 1-[(2-chlorophenyl)methyl]-5-phenylpyrazole-3-carboxylate;methyl 2-[[1-[(2-chlorophenyl)methyl]-5-phenylpyrazol-3-yl]methoxy]-2-methylpropanoate;methyl 3-phenyl-1H-pyrazole-5-carboxylate (CID 159268274) is [1-[(2-chlorophenyl)methyl]-5-phenylpyrazol-3-yl]methanol;2-[[1-[(2-chlorophenyl)methyl]-5-phenylpyrazol-3-yl]methoxy]-2-methylpropanoic acid;methyl 1-[(2-chlorophenyl)methyl]-5-phenylpyrazole-3-carboxylate;methyl 2-[[1-[(2-chlorophenyl)methyl]-5-phenylpyrazol-3-yl]methoxy]-2-methylpropanoate;methyl 3-phenyl-1H-pyrazole-5-carboxylate.

What is the SMILES notation for [1-[(2-chlorophenyl)methyl]-5-phenylpyrazol-3-yl]methanol;2-[[1-[(2-chlorophenyl)methyl]-5-phenylpyrazol-3-yl]methoxy]-2-methylpropanoic acid;methyl 1-[(2-chlorophenyl)methyl]-5-phenylpyrazole-3-carboxylate;methyl 2-[[1-[(2-chlorophenyl)methyl]-5-phenylpyrazol-3-yl]methoxy]-2-methylpropanoate;methyl 3-phenyl-1H-pyrazole-5-carboxylate?

The canonical SMILES for [1-[(2-chlorophenyl)methyl]-5-phenylpyrazol-3-yl]methanol;2-[[1-[(2-chlorophenyl)methyl]-5-phenylpyrazol-3-yl]methoxy]-2-methylpropanoic acid;methyl 1-[(2-chlorophenyl)methyl]-5-phenylpyrazole-3-carboxylate;methyl 2-[[1-[(2-chlorophenyl)methyl]-5-phenylpyrazol-3-yl]methoxy]-2-methylpropanoate;methyl 3-phenyl-1H-pyrazole-5-carboxylate is CC(C)(OCc1cc(-c2ccccc2)n(Cc2ccccc2Cl)n1)C(=O)O.COC(=O)C(C)(C)OCc1cc(-c2ccccc2)n(Cc2ccccc2Cl)n1.COC(=O)c1cc(-c2ccccc2)n(Cc2ccccc2Cl)n1.COC(=O)c1cc(-c2ccccc2)n[nH]1.OCc1cc(-c2ccccc2)n(Cc2ccccc2Cl)n1.

What is the InChIKey of [1-[(2-chlorophenyl)methyl]-5-phenylpyrazol-3-yl]methanol;2-[[1-[(2-chlorophenyl)methyl]-5-phenylpyrazol-3-yl]methoxy]-2-methylpropanoic acid;methyl 1-[(2-chlorophenyl)methyl]-5-phenylpyrazole-3-carboxylate;methyl 2-[[1-[(2-chlorophenyl)methyl]-5-phenylpyrazol-3-yl]methoxy]-2-methylpropanoate;methyl 3-phenyl-1H-pyrazole-5-carboxylate?

The InChIKey is KXJNPNSLXXEZEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN2O3.C21H21ClN2O3.C18H15ClN2O2.C17H15ClN2O.C11H10N2O2/c1-22(2,21(26)27-3)28-15-18-13-20(16-9-5-4-6-10-16)25(24-18)14-17-11-7-8-12-19(17)23;1-21(2,20(25)26)27-14-17-12-19(15-8-4-3-5-9-15)24(23-17)13-16-10-6-7-11-18(16)22;1-23-18(22)16-11-17(13-7-3-2-4-8-13)21(20-16)12-14-9-5-6-10-15(14)19;18-16-9-5-4-8-14(16)11-20-17(10-15(12-21)19-20)13-6-2-1-3-7-13;1-15-11(14)10-7-9(12-13-10)8-5-3-2-4-6-8/h4-13H,14-15H2,1-3H3;3-12H,13-14H2,1-2H3,(H,25,26);2-11H,12H2,1H3;1-10,21H,11-12H2;2-7H,1H3,(H,12,13).

What are the key properties of [1-[(2-chlorophenyl)methyl]-5-phenylpyrazol-3-yl]methanol;2-[[1-[(2-chlorophenyl)methyl]-5-phenylpyrazol-3-yl]methoxy]-2-methylpropanoic acid;methyl 1-[(2-chlorophenyl)methyl]-5-phenylpyrazole-3-carboxylate;methyl 2-[[1-[(2-chlorophenyl)methyl]-5-phenylpyrazol-3-yl]methoxy]-2-methylpropanoate;methyl 3-phenyl-1H-pyrazole-5-carboxylate?

[1-[(2-chlorophenyl)methyl]-5-phenylpyrazol-3-yl]methanol;2-[[1-[(2-chlorophenyl)methyl]-5-phenylpyrazol-3-yl]methoxy]-2-methylpropanoic acid;methyl 1-[(2-chlorophenyl)methyl]-5-phenylpyrazole-3-carboxylate;methyl 2-[[1-[(2-chlorophenyl)methyl]-5-phenylpyrazol-3-yl]methoxy]-2-methylpropanoate;methyl 3-phenyl-1H-pyrazole-5-carboxylate has a molecular weight of 1611.52 g/mol, XLogP of 19.00, 24 rotatable bonds, 3 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[(2-chlorophenyl)methyl]-5-phenylpyrazol-3-yl]methanol;2-[[1-[(2-chlorophenyl)methyl]-5-phenylpyrazol-3-yl]methoxy]-2-methylpropanoic acid;methyl 1-[(2-chlorophenyl)methyl]-5-phenylpyrazole-3-carboxylate;methyl 2-[[1-[(2-chlorophenyl)methyl]-5-phenylpyrazol-3-yl]methoxy]-2-methylpropanoate;methyl 3-phenyl-1H-pyrazole-5-carboxylate is sourced from PubChem (CID 159268274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).