[3-(2,2-difluoroethyl)-1-methylpyrazol-5-yl]-[3-(difluoromethyl)-1-[4-fluoro-2-[(1R)-1-phenylmethoxyethyl]phenyl]pyrazol-5-yl]methanol

C26H25F5N4O2 — CID 164719254

IUPAC[3-(2,2-difluoroethyl)-1-methylpyrazol-5-yl]-[3-(difluoromethyl)-1-[4-fluoro-2-[(1R)-1-phenylmethoxyethyl]phenyl]pyrazol-5-yl]methanol
SMILESC[C@@H](OCc1ccccc1)c1cc(F)ccc1-n1nc(C(F)F)cc1C(O)c1cc(CC(F)F)nn1C
InChIInChI=1S/C26H25F5N4O2/c1-15(37-14-16-6-4-3-5-7-16)19-10-17(27)8-9-21(19)35-23(13-20(33-35)26(30)31)25(36)22-11-18(12-24(28)29)32-34(22)2/h3-11,13,15,24-26,36H,12,14H2,1-2H3/t15-,25?/m1/s1
InChIKeyVEUCWHRTNCBGCO-FXBVVIMESA-N
MW520.50 g/mol
LogP5.85
Rot. Bonds10

About [3-(2,2-difluoroethyl)-1-methylpyrazol-5-yl]-[3-(difluoromethyl)-1-[4-fluoro-2-[(1R)-1-phenylmethoxyethyl]phenyl]pyrazol-5-yl]methanol

[3-(2,2-difluoroethyl)-1-methylpyrazol-5-yl]-[3-(difluoromethyl)-1-[4-fluoro-2-[(1R)-1-phenylmethoxyethyl]phenyl]pyrazol-5-yl]methanol (PubChem CID 164719254) has the molecular formula C26H25F5N4O2 and a molecular weight of 520.50 g/mol. Its IUPAC name is [3-(2,2-difluoroethyl)-1-methylpyrazol-5-yl]-[3-(difluoromethyl)-1-[4-fluoro-2-[(1R)-1-phenylmethoxyethyl]phenyl]pyrazol-5-yl]methanol.

Molecular Properties

Compound Name[3-(2,2-difluoroethyl)-1-methylpyrazol-5-yl]-[3-(difluoromethyl)-1-[4-fluoro-2-[(1R)-1-phenylmethoxyethyl]phenyl]pyrazol-5-yl]methanol
PubChem CID164719254
Molecular FormulaC26H25F5N4O2
Molecular Weight520.50 g/mol
Exact Mass520.19
IUPAC Name[3-(2,2-difluoroethyl)-1-methylpyrazol-5-yl]-[3-(difluoromethyl)-1-[4-fluoro-2-[(1R)-1-phenylmethoxyethyl]phenyl]pyrazol-5-yl]methanol
SMILESC[C@@H](OCc1ccccc1)c1cc(F)ccc1-n1nc(C(F)F)cc1C(O)c1cc(CC(F)F)nn1C
InChIInChI=1S/C26H25F5N4O2/c1-15(37-14-16-6-4-3-5-7-16)19-10-17(27)8-9-21(19)35-23(13-20(33-35)26(30)31)25(36)22-11-18(12-24(28)29)32-34(22)2/h3-11,13,15,24-26,36H,12,14H2,1-2H3/t15-,25?/m1/s1
InChIKeyVEUCWHRTNCBGCO-FXBVVIMESA-N
XLogP5.85
TPSA65.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.50
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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[1-(Cyclopropylmethyl)-3-methylpyrazol-4-yl]-[3-(difluoromethyl)-1-[4-fluoro-2-(phenylmethoxymethyl)phenyl]pyrazol-5-yl]methanol
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Frequently Asked Questions

What is the IUPAC name of [3-(2,2-difluoroethyl)-1-methylpyrazol-5-yl]-[3-(difluoromethyl)-1-[4-fluoro-2-[(1R)-1-phenylmethoxyethyl]phenyl]pyrazol-5-yl]methanol?
The IUPAC name of [3-(2,2-difluoroethyl)-1-methylpyrazol-5-yl]-[3-(difluoromethyl)-1-[4-fluoro-2-[(1R)-1-phenylmethoxyethyl]phenyl]pyrazol-5-yl]methanol (CID 164719254) is [3-(2,2-difluoroethyl)-1-methylpyrazol-5-yl]-[3-(difluoromethyl)-1-[4-fluoro-2-[(1R)-1-phenylmethoxyethyl]phenyl]pyrazol-5-yl]methanol.
What is the SMILES notation for [3-(2,2-difluoroethyl)-1-methylpyrazol-5-yl]-[3-(difluoromethyl)-1-[4-fluoro-2-[(1R)-1-phenylmethoxyethyl]phenyl]pyrazol-5-yl]methanol?
The canonical SMILES for [3-(2,2-difluoroethyl)-1-methylpyrazol-5-yl]-[3-(difluoromethyl)-1-[4-fluoro-2-[(1R)-1-phenylmethoxyethyl]phenyl]pyrazol-5-yl]methanol is C[C@@H](OCc1ccccc1)c1cc(F)ccc1-n1nc(C(F)F)cc1C(O)c1cc(CC(F)F)nn1C.
What is the InChIKey of [3-(2,2-difluoroethyl)-1-methylpyrazol-5-yl]-[3-(difluoromethyl)-1-[4-fluoro-2-[(1R)-1-phenylmethoxyethyl]phenyl]pyrazol-5-yl]methanol?
The InChIKey is VEUCWHRTNCBGCO-FXBVVIMESA-N. The full InChI is InChI=1S/C26H25F5N4O2/c1-15(37-14-16-6-4-3-5-7-16)19-10-17(27)8-9-21(19)35-23(13-20(33-35)26(30)31)25(36)22-11-18(12-24(28)29)32-34(22)2/h3-11,13,15,24-26,36H,12,14H2,1-2H3/t15-,25?/m1/s1.
What are the key properties of [3-(2,2-difluoroethyl)-1-methylpyrazol-5-yl]-[3-(difluoromethyl)-1-[4-fluoro-2-[(1R)-1-phenylmethoxyethyl]phenyl]pyrazol-5-yl]methanol?
[3-(2,2-difluoroethyl)-1-methylpyrazol-5-yl]-[3-(difluoromethyl)-1-[4-fluoro-2-[(1R)-1-phenylmethoxyethyl]phenyl]pyrazol-5-yl]methanol has a molecular weight of 520.50 g/mol, XLogP of 5.85, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,2-difluoroethyl)-1-methylpyrazol-5-yl]-[3-(difluoromethyl)-1-[4-fluoro-2-[(1R)-1-phenylmethoxyethyl]phenyl]pyrazol-5-yl]methanol is sourced from PubChem (CID 164719254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).