1-[3-(difluoromethyl)-1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]pyrazol-5-yl]ethyl formate;5-[[3-(difluoromethyl)-1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]pyrazol-5-yl]-hydroxymethyl]-1-methylpyrazole-3-carbonitrile;methanesulfonyl chloride

C50H50ClF6N7O9S — CID 165045590

IUPAC1-[3-(difluoromethyl)-1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]pyrazol-5-yl]ethyl formate;5-[[3-(difluoromethyl)-1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]pyrazol-5-yl]-hydroxymethyl]-1-methylpyrazole-3-carbonitrile;methanesulfonyl chloride
SMILESCOc1ccc(CO[C@H](C)c2cc(F)ccc2-n2nc(C(F)F)cc2C(C)OC=O)cc1.COc1ccc(CO[C@H](C)c2cc(F)ccc2-n2nc(C(F)F)cc2C(O)c2cc(C#N)nn2C)cc1.CS(=O)(=O)Cl
InChIInChI=1S/C26H24F3N5O3.C23H23F3N2O4.CH3ClO2S/c1-15(37-14-16-4-7-19(36-3)8-5-16)20-10-17(27)6-9-22(20)34-24(12-21(32-34)26(28)29)25(35)23-11-18(13-30)31-33(23)2;1-14(31-12-16-4-7-18(30-3)8-5-16)19-10-17(24)6-9-21(19)28-22(15(2)32-13-29)11-20(27-28)23(25)26;1-5(2,3)4/h4-12,15,25-26,35H,14H2,1-3H3;4-11,13-15,23H,12H2,1-3H3;1H3/t15-,25?;14-,15?;/m11./s1
InChIKeyOVOLLLCQCJIROZ-JCPKPQDASA-N
MW1074.50 g/mol
LogP10.58
Rot. Bonds19

About 1-[3-(difluoromethyl)-1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]pyrazol-5-yl]ethyl formate;5-[[3-(difluoromethyl)-1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]pyrazol-5-yl]-hydroxymethyl]-1-methylpyrazole-3-carbonitrile;methanesulfonyl chloride

1-[3-(difluoromethyl)-1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]pyrazol-5-yl]ethyl formate;5-[[3-(difluoromethyl)-1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]pyrazol-5-yl]-hydroxymethyl]-1-methylpyrazole-3-carbonitrile;methanesulfonyl chloride (PubChem CID 165045590) has the molecular formula C50H50ClF6N7O9S and a molecular weight of 1074.50 g/mol. Its IUPAC name is 1-[3-(difluoromethyl)-1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]pyrazol-5-yl]ethyl formate;5-[[3-(difluoromethyl)-1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]pyrazol-5-yl]-hydroxymethyl]-1-methylpyrazole-3-carbonitrile;methanesulfonyl chloride.

Molecular Properties

Compound Name1-[3-(difluoromethyl)-1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]pyrazol-5-yl]ethyl formate;5-[[3-(difluoromethyl)-1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]pyrazol-5-yl]-hydroxymethyl]-1-methylpyrazole-3-carbonitrile;methanesulfonyl chloride
PubChem CID165045590
Molecular FormulaC50H50ClF6N7O9S
Molecular Weight1074.50 g/mol
Exact Mass1073.30
IUPAC Name1-[3-(difluoromethyl)-1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]pyrazol-5-yl]ethyl formate;5-[[3-(difluoromethyl)-1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]pyrazol-5-yl]-hydroxymethyl]-1-methylpyrazole-3-carbonitrile;methanesulfonyl chloride
SMILESCOc1ccc(CO[C@H](C)c2cc(F)ccc2-n2nc(C(F)F)cc2C(C)OC=O)cc1.COc1ccc(CO[C@H](C)c2cc(F)ccc2-n2nc(C(F)F)cc2C(O)c2cc(C#N)nn2C)cc1.CS(=O)(=O)Cl
InChIInChI=1S/C26H24F3N5O3.C23H23F3N2O4.CH3ClO2S/c1-15(37-14-16-4-7-19(36-3)8-5-16)20-10-17(27)6-9-22(20)34-24(12-21(32-34)26(28)29)25(35)23-11-18(13-30)31-33(23)2;1-14(31-12-16-4-7-18(30-3)8-5-16)19-10-17(24)6-9-21(19)28-22(15(2)32-13-29)11-20(27-28)23(25)26;1-5(2,3)4/h4-12,15,25-26,35H,14H2,1-3H3;4-11,13-15,23H,12H2,1-3H3;1H3/t15-,25?;14-,15?;/m11./s1
InChIKeyOVOLLLCQCJIROZ-JCPKPQDASA-N
XLogP10.58
TPSA194.84 Ų
H-Bond Donors1
H-Bond Acceptors16
Rotatable Bonds19
Heavy Atoms74
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001074.50
LogP ≤ 510.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze 1-[3-(difluoromethyl)-1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]pyrazol-5-yl]ethyl formate;5-[[3-(difluoromethyl)-1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]pyrazol-5-yl]-hydroxymethyl]-1-methylpyrazole-3-carbonitrile;methanesulfonyl chloride with MolForge

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Related Compounds

[[3-chloro-1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]pyrazol-5-yl]-(3-cyano-1-methylpyrazol-5-yl)methyl] methanesulfonate
CID 164718577
[(3-cyano-1-methylpyrazol-5-yl)-[3-(difluoromethyl)-1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]pyrazol-5-yl]methyl] methanesulfonate
CID 164718942
[[3-Chloro-1-[4-fluoro-2-[(4-methoxyphenyl)methoxymethyl]phenyl]pyrazol-5-yl]-(3-cyano-1-methylpyrazol-5-yl)methyl] methanesulfonate
CID 164719245
5-[[1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]-3-(trifluoromethyl)pyrazol-5-yl]-hydroxymethyl]-1-methylpyrazole-3-carbonitrile
CID 164719476
5-[[3-(difluoromethyl)-1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]pyrazol-5-yl]-hydroxymethyl]-1-methylpyrazole-3-carbonitrile
CID 164719489
[(3-cyano-1-methylpyrazol-5-yl)-[1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]-3-(trifluoromethyl)pyrazol-5-yl]methyl] methanesulfonate
CID 164719494
5-[[1-[4-fluoro-2-[(1R)-1-hydroxyethyl]phenyl]-3-(trifluoromethyl)pyrazol-5-yl]methyl]-1-methylpyrazole-3-carbonitrile;5-[[1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]-3-(trifluoromethyl)pyrazol-5-yl]methyl]-1-methylpyrazole-3-carbonitrile
CID 165063744
[[1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]-3-(trifluoromethyl)pyrazol-5-yl]-hydroxymethyl] methanesulfonate
CID 169670725
[3-(difluoromethyl)-1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]pyrazol-5-yl]-(2,5-dimethylpyrazol-3-yl)methanol
CID 169897686
[(3-Cyano-1-methylpyrazol-5-yl)-[1-[4-fluoro-2-[1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]-3-(trifluoromethyl)pyrazol-5-yl]methyl] methanesulfonate
CID 175413226
[(3-cyano-1-methylpyrazol-5-yl)-[3-(difluoromethyl)-1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]pyrazol-5-yl]methyl] methanesulfonate;5-[[3-(difluoromethyl)-1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]pyrazol-5-yl]methyl]-1-methylpyrazole-3-carbonitrile
CID 165063948
[[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

Frequently Asked Questions

What is the IUPAC name of 1-[3-(difluoromethyl)-1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]pyrazol-5-yl]ethyl formate;5-[[3-(difluoromethyl)-1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]pyrazol-5-yl]-hydroxymethyl]-1-methylpyrazole-3-carbonitrile;methanesulfonyl chloride?
The IUPAC name of 1-[3-(difluoromethyl)-1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]pyrazol-5-yl]ethyl formate;5-[[3-(difluoromethyl)-1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]pyrazol-5-yl]-hydroxymethyl]-1-methylpyrazole-3-carbonitrile;methanesulfonyl chloride (CID 165045590) is 1-[3-(difluoromethyl)-1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]pyrazol-5-yl]ethyl formate;5-[[3-(difluoromethyl)-1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]pyrazol-5-yl]-hydroxymethyl]-1-methylpyrazole-3-carbonitrile;methanesulfonyl chloride.
What is the SMILES notation for 1-[3-(difluoromethyl)-1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]pyrazol-5-yl]ethyl formate;5-[[3-(difluoromethyl)-1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]pyrazol-5-yl]-hydroxymethyl]-1-methylpyrazole-3-carbonitrile;methanesulfonyl chloride?
The canonical SMILES for 1-[3-(difluoromethyl)-1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]pyrazol-5-yl]ethyl formate;5-[[3-(difluoromethyl)-1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]pyrazol-5-yl]-hydroxymethyl]-1-methylpyrazole-3-carbonitrile;methanesulfonyl chloride is COc1ccc(CO[C@H](C)c2cc(F)ccc2-n2nc(C(F)F)cc2C(C)OC=O)cc1.COc1ccc(CO[C@H](C)c2cc(F)ccc2-n2nc(C(F)F)cc2C(O)c2cc(C#N)nn2C)cc1.CS(=O)(=O)Cl.
What is the InChIKey of 1-[3-(difluoromethyl)-1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]pyrazol-5-yl]ethyl formate;5-[[3-(difluoromethyl)-1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]pyrazol-5-yl]-hydroxymethyl]-1-methylpyrazole-3-carbonitrile;methanesulfonyl chloride?
The InChIKey is OVOLLLCQCJIROZ-JCPKPQDASA-N. The full InChI is InChI=1S/C26H24F3N5O3.C23H23F3N2O4.CH3ClO2S/c1-15(37-14-16-4-7-19(36-3)8-5-16)20-10-17(27)6-9-22(20)34-24(12-21(32-34)26(28)29)25(35)23-11-18(13-30)31-33(23)2;1-14(31-12-16-4-7-18(30-3)8-5-16)19-10-17(24)6-9-21(19)28-22(15(2)32-13-29)11-20(27-28)23(25)26;1-5(2,3)4/h4-12,15,25-26,35H,14H2,1-3H3;4-11,13-15,23H,12H2,1-3H3;1H3/t15-,25?;14-,15?;/m11./s1.
What are the key properties of 1-[3-(difluoromethyl)-1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]pyrazol-5-yl]ethyl formate;5-[[3-(difluoromethyl)-1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]pyrazol-5-yl]-hydroxymethyl]-1-methylpyrazole-3-carbonitrile;methanesulfonyl chloride?
1-[3-(difluoromethyl)-1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]pyrazol-5-yl]ethyl formate;5-[[3-(difluoromethyl)-1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]pyrazol-5-yl]-hydroxymethyl]-1-methylpyrazole-3-carbonitrile;methanesulfonyl chloride has a molecular weight of 1074.50 g/mol, XLogP of 10.58, 19 rotatable bonds, 1 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(difluoromethyl)-1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]pyrazol-5-yl]ethyl formate;5-[[3-(difluoromethyl)-1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]pyrazol-5-yl]-hydroxymethyl]-1-methylpyrazole-3-carbonitrile;methanesulfonyl chloride is sourced from PubChem (CID 165045590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).