[3-chloro-1-[4-fluoro-2-[(4-methoxyphenyl)methoxymethyl]phenyl]pyrazol-5-yl]-(2,5-dimethylpyrazol-3-yl)methanol

C24H24ClFN4O3 — CID 164719417

IUPAC[3-chloro-1-[4-fluoro-2-[(4-methoxyphenyl)methoxymethyl]phenyl]pyrazol-5-yl]-(2,5-dimethylpyrazol-3-yl)methanol
SMILESCOc1ccc(COCc2cc(F)ccc2-n2nc(Cl)cc2C(O)c2cc(C)nn2C)cc1
InChIInChI=1S/C24H24ClFN4O3/c1-15-10-21(29(2)27-15)24(31)22-12-23(25)28-30(22)20-9-6-18(26)11-17(20)14-33-13-16-4-7-19(32-3)8-5-16/h4-12,24,31H,13-14H2,1-3H3
InChIKeyILYHZRJZNQPNRS-UHFFFAOYSA-N
MW470.93 g/mol
LogP4.51
Rot. Bonds8

About [3-chloro-1-[4-fluoro-2-[(4-methoxyphenyl)methoxymethyl]phenyl]pyrazol-5-yl]-(2,5-dimethylpyrazol-3-yl)methanol

[3-chloro-1-[4-fluoro-2-[(4-methoxyphenyl)methoxymethyl]phenyl]pyrazol-5-yl]-(2,5-dimethylpyrazol-3-yl)methanol (PubChem CID 164719417) has the molecular formula C24H24ClFN4O3 and a molecular weight of 470.93 g/mol. Its IUPAC name is [3-chloro-1-[4-fluoro-2-[(4-methoxyphenyl)methoxymethyl]phenyl]pyrazol-5-yl]-(2,5-dimethylpyrazol-3-yl)methanol.

Molecular Properties

Compound Name[3-chloro-1-[4-fluoro-2-[(4-methoxyphenyl)methoxymethyl]phenyl]pyrazol-5-yl]-(2,5-dimethylpyrazol-3-yl)methanol
PubChem CID164719417
Molecular FormulaC24H24ClFN4O3
Molecular Weight470.93 g/mol
Exact Mass470.15
IUPAC Name[3-chloro-1-[4-fluoro-2-[(4-methoxyphenyl)methoxymethyl]phenyl]pyrazol-5-yl]-(2,5-dimethylpyrazol-3-yl)methanol
SMILESCOc1ccc(COCc2cc(F)ccc2-n2nc(Cl)cc2C(O)c2cc(C)nn2C)cc1
InChIInChI=1S/C24H24ClFN4O3/c1-15-10-21(29(2)27-15)24(31)22-12-23(25)28-30(22)20-9-6-18(26)11-17(20)14-33-13-16-4-7-19(32-3)8-5-16/h4-12,24,31H,13-14H2,1-3H3
InChIKeyILYHZRJZNQPNRS-UHFFFAOYSA-N
XLogP4.51
TPSA74.33 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.93
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(4-Chlorophenyl)-2-[5-(hydroxymethyl)-3-(4-methoxyphenyl)pyrazol-1-yl]ethanol
CID 50908377
2-[5-(Hydroxymethyl)-3-phenylpyrazol-1-yl]-1-(4-methoxyphenyl)ethanol
CID 50905137
2-[3-(4-Chlorophenyl)-5-(hydroxymethyl)pyrazol-1-yl]-1-(4-methoxyphenyl)ethanol
CID 50905138
[3-Chloro-5-(2,6-difluorophenyl)-1-methylpyrazol-4-yl]-(2-fluoro-4-methoxyphenyl)methanol
CID 66613361
[5-(2-Chloro-6-fluorophenyl)-3-methoxy-1-methylpyrazol-4-yl]-(2-chloro-4-methoxyphenyl)methanol
CID 66613482
[3-Chloro-5-(2,6-difluorophenyl)-1-methylpyrazol-4-yl]-(2-chloro-4-methoxyphenyl)methanol
CID 66613725
[5-(2-Chloro-6-fluorophenyl)-1,3-dimethylpyrazol-4-yl]-(2-chloro-4-methoxyphenyl)methanol
CID 66613884
[3-Chloro-5-(2,6-difluorophenyl)-1-methylpyrazol-4-yl]-(4-methoxy-2-methylphenyl)methanol
CID 66614254
(2-Chloro-4-methoxyphenyl)-[5-(2,6-difluorophenyl)-3-methoxy-1-methylpyrazol-4-yl]methanol
CID 66614694
[1-[(5-Chloro-2-methoxyphenyl)methyl]-5-fluoroindazol-3-yl]methanol
CID 66859436
1-(4-Chlorophenyl)-5-[[2,6-difluoro-4-(3-hydroxypropyl)phenoxy]methyl]-3-methylpyrazole-4-carbonitrile
CID 139489734
[3-Fluoro-4-[(5-methyl-2-phenylpyrazol-3-yl)methoxy]phenyl]methanol
CID 155672072

Frequently Asked Questions

What is the IUPAC name of [3-chloro-1-[4-fluoro-2-[(4-methoxyphenyl)methoxymethyl]phenyl]pyrazol-5-yl]-(2,5-dimethylpyrazol-3-yl)methanol?
The IUPAC name of [3-chloro-1-[4-fluoro-2-[(4-methoxyphenyl)methoxymethyl]phenyl]pyrazol-5-yl]-(2,5-dimethylpyrazol-3-yl)methanol (CID 164719417) is [3-chloro-1-[4-fluoro-2-[(4-methoxyphenyl)methoxymethyl]phenyl]pyrazol-5-yl]-(2,5-dimethylpyrazol-3-yl)methanol.
What is the SMILES notation for [3-chloro-1-[4-fluoro-2-[(4-methoxyphenyl)methoxymethyl]phenyl]pyrazol-5-yl]-(2,5-dimethylpyrazol-3-yl)methanol?
The canonical SMILES for [3-chloro-1-[4-fluoro-2-[(4-methoxyphenyl)methoxymethyl]phenyl]pyrazol-5-yl]-(2,5-dimethylpyrazol-3-yl)methanol is COc1ccc(COCc2cc(F)ccc2-n2nc(Cl)cc2C(O)c2cc(C)nn2C)cc1.
What is the InChIKey of [3-chloro-1-[4-fluoro-2-[(4-methoxyphenyl)methoxymethyl]phenyl]pyrazol-5-yl]-(2,5-dimethylpyrazol-3-yl)methanol?
The InChIKey is ILYHZRJZNQPNRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClFN4O3/c1-15-10-21(29(2)27-15)24(31)22-12-23(25)28-30(22)20-9-6-18(26)11-17(20)14-33-13-16-4-7-19(32-3)8-5-16/h4-12,24,31H,13-14H2,1-3H3.
What are the key properties of [3-chloro-1-[4-fluoro-2-[(4-methoxyphenyl)methoxymethyl]phenyl]pyrazol-5-yl]-(2,5-dimethylpyrazol-3-yl)methanol?
[3-chloro-1-[4-fluoro-2-[(4-methoxyphenyl)methoxymethyl]phenyl]pyrazol-5-yl]-(2,5-dimethylpyrazol-3-yl)methanol has a molecular weight of 470.93 g/mol, XLogP of 4.51, 8 rotatable bonds, 1 hydrogen bond donors, and 7 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]-(2,5-dimethylpyrazol-3-yl)methanol is sourced from PubChem (CID 164719417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).