[[3-chloro-1-[4-fluoro-2-[(4-methoxyphenyl)methoxymethyl]phenyl]pyrazol-5-yl]-(3-cyano-1-methylpyrazol-5-yl)methyl] methanesulfonate;5-[[3-chloro-1-[4-fluoro-2-[(4-methoxyphenyl)methoxymethyl]phenyl]pyrazol-5-yl]-hydroxymethyl]-1-methylpyrazole-3-carbonitrile;methanesulfonyl chloride

C50H47Cl3F2N10O10S2 — CID 165070286

About [[3-chloro-1-[4-fluoro-2-[(4-methoxyphenyl)methoxymethyl]phenyl]pyrazol-5-yl]-(3-cyano-1-methylpyrazol-5-yl)methyl] methanesulfonate;5-[[3-chloro-1-[4-fluoro-2-[(4-methoxyphenyl)methoxymethyl]phenyl]pyrazol-5-yl]-hydroxymethyl]-1-methylpyrazole-3-carbonitrile;methanesulfonyl chloride

[[3-chloro-1-[4-fluoro-2-[(4-methoxyphenyl)methoxymethyl]phenyl]pyrazol-5-yl]-(3-cyano-1-methylpyrazol-5-yl)methyl] methanesulfonate;5-[[3-chloro-1-[4-fluoro-2-[(4-methoxyphenyl)methoxymethyl]phenyl]pyrazol-5-yl]-hydroxymethyl]-1-methylpyrazole-3-carbonitrile;methanesulfonyl chloride (PubChem CID 165070286) has the molecular formula C50H47Cl3F2N10O10S2 and a molecular weight of 1156.47 g/mol. Its IUPAC name is [[3-chloro-1-[4-fluoro-2-[(4-methoxyphenyl)methoxymethyl]phenyl]pyrazol-5-yl]-(3-cyano-1-methylpyrazol-5-yl)methyl] methanesulfonate;5-[[3-chloro-1-[4-fluoro-2-[(4-methoxyphenyl)methoxymethyl]phenyl]pyrazol-5-yl]-hydroxymethyl]-1-methylpyrazole-3-carbonitrile;methanesulfonyl chloride.

Molecular Properties

• Compound Name: [[3-chloro-1-[4-fluoro-2-[(4-methoxyphenyl)methoxymethyl]phenyl]pyrazol-5-yl]-(3-cyano-1-methylpyrazol-5-yl)methyl] methanesulfonate;5-[[3-chloro-1-[4-fluoro-2-[(4-methoxyphenyl)methoxymethyl]phenyl]pyrazol-5-yl]-hydroxymethyl]-1-methylpyrazole-3-carbonitrile;methanesulfonyl chloride
• PubChem CID: 165070286
• Molecular Formula: C50H47Cl3F2N10O10S2
• Molecular Weight: 1156.47 g/mol
• Exact Mass: 1154.20
• IUPAC Name: [[3-chloro-1-[4-fluoro-2-[(4-methoxyphenyl)methoxymethyl]phenyl]pyrazol-5-yl]-(3-cyano-1-methylpyrazol-5-yl)methyl] methanesulfonate;5-[[3-chloro-1-[4-fluoro-2-[(4-methoxyphenyl)methoxymethyl]phenyl]pyrazol-5-yl]-hydroxymethyl]-1-methylpyrazole-3-carbonitrile;methanesulfonyl chloride
• SMILES: COc1ccc(COCc2cc(F)ccc2-n2nc(Cl)cc2C(O)c2cc(C#N)nn2C)cc1.COc1ccc(COCc2cc(F)ccc2-n2nc(Cl)cc2C(OS(C)(=O)=O)c2cc(C#N)nn2C)cc1.CS(=O)(=O)Cl
• InChI: InChI=1S/C25H23ClFN5O5S.C24H21ClFN5O3.CH3ClO2S/c1-31-22(11-19(13-28)29-31)25(37-38(3,33)34)23-12-24(26)30-32(23)21-9-6-18(27)10-17(21)15-36-14-16-4-7-20(35-2)8-5-16;1-30-21(10-18(12-27)28-30)24(32)22-11-23(25)29-31(22)20-8-5-17(26)9-16(20)14-34-13-15-3-6-19(33-2)7-4-15;1-5(2,3)4/h4-12,25H,14-15H2,1-3H3;3-11,24,32H,13-14H2,1-2H3;1H3
• InChIKey: SQLSXHXUUQZSCG-UHFFFAOYSA-N
• XLogP: 8.32
• TPSA: 253.52 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 20
• Rotatable Bonds: 18
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1156.47
LogP ≤ 5	8.32
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [[3-chloro-1-[4-fluoro-2-[(4-methoxyphenyl)methoxymethyl]phenyl]pyrazol-5-yl]-(3-cyano-1-methylpyrazol-5-yl)methyl] methanesulfonate;5-[[3-chloro-1-[4-fluoro-2-[(4-methoxyphenyl)methoxymethyl]phenyl]pyrazol-5-yl]-hydroxymethyl]-1-methylpyrazole-3-carbonitrile;methanesulfonyl chloride?

The IUPAC name of [[3-chloro-1-[4-fluoro-2-[(4-methoxyphenyl)methoxymethyl]phenyl]pyrazol-5-yl]-(3-cyano-1-methylpyrazol-5-yl)methyl] methanesulfonate;5-[[3-chloro-1-[4-fluoro-2-[(4-methoxyphenyl)methoxymethyl]phenyl]pyrazol-5-yl]-hydroxymethyl]-1-methylpyrazole-3-carbonitrile;methanesulfonyl chloride (CID 165070286) is [[3-chloro-1-[4-fluoro-2-[(4-methoxyphenyl)methoxymethyl]phenyl]pyrazol-5-yl]-(3-cyano-1-methylpyrazol-5-yl)methyl] methanesulfonate;5-[[3-chloro-1-[4-fluoro-2-[(4-methoxyphenyl)methoxymethyl]phenyl]pyrazol-5-yl]-hydroxymethyl]-1-methylpyrazole-3-carbonitrile;methanesulfonyl chloride.

What is the SMILES notation for [[3-chloro-1-[4-fluoro-2-[(4-methoxyphenyl)methoxymethyl]phenyl]pyrazol-5-yl]-(3-cyano-1-methylpyrazol-5-yl)methyl] methanesulfonate;5-[[3-chloro-1-[4-fluoro-2-[(4-methoxyphenyl)methoxymethyl]phenyl]pyrazol-5-yl]-hydroxymethyl]-1-methylpyrazole-3-carbonitrile;methanesulfonyl chloride?

The canonical SMILES for [[3-chloro-1-[4-fluoro-2-[(4-methoxyphenyl)methoxymethyl]phenyl]pyrazol-5-yl]-(3-cyano-1-methylpyrazol-5-yl)methyl] methanesulfonate;5-[[3-chloro-1-[4-fluoro-2-[(4-methoxyphenyl)methoxymethyl]phenyl]pyrazol-5-yl]-hydroxymethyl]-1-methylpyrazole-3-carbonitrile;methanesulfonyl chloride is COc1ccc(COCc2cc(F)ccc2-n2nc(Cl)cc2C(O)c2cc(C#N)nn2C)cc1.COc1ccc(COCc2cc(F)ccc2-n2nc(Cl)cc2C(OS(C)(=O)=O)c2cc(C#N)nn2C)cc1.CS(=O)(=O)Cl.

What is the InChIKey of [[3-chloro-1-[4-fluoro-2-[(4-methoxyphenyl)methoxymethyl]phenyl]pyrazol-5-yl]-(3-cyano-1-methylpyrazol-5-yl)methyl] methanesulfonate;5-[[3-chloro-1-[4-fluoro-2-[(4-methoxyphenyl)methoxymethyl]phenyl]pyrazol-5-yl]-hydroxymethyl]-1-methylpyrazole-3-carbonitrile;methanesulfonyl chloride?

The InChIKey is SQLSXHXUUQZSCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClFN5O5S.C24H21ClFN5O3.CH3ClO2S/c1-31-22(11-19(13-28)29-31)25(37-38(3,33)34)23-12-24(26)30-32(23)21-9-6-18(27)10-17(21)15-36-14-16-4-7-20(35-2)8-5-16;1-30-21(10-18(12-27)28-30)24(32)22-11-23(25)29-31(22)20-8-5-17(26)9-16(20)14-34-13-15-3-6-19(33-2)7-4-15;1-5(2,3)4/h4-12,25H,14-15H2,1-3H3;3-11,24,32H,13-14H2,1-2H3;1H3.

What are the key properties of [[3-chloro-1-[4-fluoro-2-[(4-methoxyphenyl)methoxymethyl]phenyl]pyrazol-5-yl]-(3-cyano-1-methylpyrazol-5-yl)methyl] methanesulfonate;5-[[3-chloro-1-[4-fluoro-2-[(4-methoxyphenyl)methoxymethyl]phenyl]pyrazol-5-yl]-hydroxymethyl]-1-methylpyrazole-3-carbonitrile;methanesulfonyl chloride?

[[3-chloro-1-[4-fluoro-2-[(4-methoxyphenyl)methoxymethyl]phenyl]pyrazol-5-yl]-(3-cyano-1-methylpyrazol-5-yl)methyl] methanesulfonate;5-[[3-chloro-1-[4-fluoro-2-[(4-methoxyphenyl)methoxymethyl]phenyl]pyrazol-5-yl]-hydroxymethyl]-1-methylpyrazole-3-carbonitrile;methanesulfonyl chloride has a molecular weight of 1156.47 g/mol, XLogP of 8.32, 18 rotatable bonds, 1 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for [[3-chloro-1-[4-fluoro-2-[(4-methoxyphenyl)methoxymethyl]phenyl]pyrazol-5-yl]-(3-cyano-1-methylpyrazol-5-yl)methyl] methanesulfonate;5-[[3-chloro-1-[4-fluoro-2-[(4-methoxyphenyl)methoxymethyl]phenyl]pyrazol-5-yl]-hydroxymethyl]-1-methylpyrazole-3-carbonitrile;methanesulfonyl chloride is sourced from PubChem (CID 165070286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).