(1R)-1-[2-[5-[[3-(2,2-difluoroethyl)-1-methylpyrazol-5-yl]methyl]-3-(difluoromethyl)pyrazol-1-yl]-5-fluorophenyl]ethanol

C19H19F5N4O — CID 164718834

IUPAC(1R)-1-[2-[5-[[3-(2,2-difluoroethyl)-1-methylpyrazol-5-yl]methyl]-3-(difluoromethyl)pyrazol-1-yl]-5-fluorophenyl]ethanol
SMILESC[C@@H](O)c1cc(F)ccc1-n1nc(C(F)F)cc1Cc1cc(CC(F)F)nn1C
InChIInChI=1S/C19H19F5N4O/c1-10(29)15-5-11(20)3-4-17(15)28-14(9-16(26-28)19(23)24)8-13-6-12(7-18(21)22)25-27(13)2/h3-6,9-10,18-19,29H,7-8H2,1-2H3/t10-/m1/s1
InChIKeyWLXVFPRTXRPMTA-SNVBAGLBSA-N
MW414.38 g/mol
LogP4.13
Rot. Bonds7

About (1R)-1-[2-[5-[[3-(2,2-difluoroethyl)-1-methylpyrazol-5-yl]methyl]-3-(difluoromethyl)pyrazol-1-yl]-5-fluorophenyl]ethanol

(1R)-1-[2-[5-[[3-(2,2-difluoroethyl)-1-methylpyrazol-5-yl]methyl]-3-(difluoromethyl)pyrazol-1-yl]-5-fluorophenyl]ethanol (PubChem CID 164718834) has the molecular formula C19H19F5N4O and a molecular weight of 414.38 g/mol. Its IUPAC name is (1R)-1-[2-[5-[[3-(2,2-difluoroethyl)-1-methylpyrazol-5-yl]methyl]-3-(difluoromethyl)pyrazol-1-yl]-5-fluorophenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[2-[5-[[3-(2,2-difluoroethyl)-1-methylpyrazol-5-yl]methyl]-3-(difluoromethyl)pyrazol-1-yl]-5-fluorophenyl]ethanol
PubChem CID164718834
Molecular FormulaC19H19F5N4O
Molecular Weight414.38 g/mol
Exact Mass414.15
IUPAC Name(1R)-1-[2-[5-[[3-(2,2-difluoroethyl)-1-methylpyrazol-5-yl]methyl]-3-(difluoromethyl)pyrazol-1-yl]-5-fluorophenyl]ethanol
SMILESC[C@@H](O)c1cc(F)ccc1-n1nc(C(F)F)cc1Cc1cc(CC(F)F)nn1C
InChIInChI=1S/C19H19F5N4O/c1-10(29)15-5-11(20)3-4-17(15)28-14(9-16(26-28)19(23)24)8-13-6-12(7-18(21)22)25-27(13)2/h3-6,9-10,18-19,29H,7-8H2,1-2H3/t10-/m1/s1
InChIKeyWLXVFPRTXRPMTA-SNVBAGLBSA-N
XLogP4.13
TPSA55.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.38
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-[5-[[3-(2,2-difluoroethyl)-1-methylpyrazol-5-yl]methyl]-3-(difluoromethyl)pyrazol-1-yl]-5-fluorophenyl]ethanol?
The IUPAC name of (1R)-1-[2-[5-[[3-(2,2-difluoroethyl)-1-methylpyrazol-5-yl]methyl]-3-(difluoromethyl)pyrazol-1-yl]-5-fluorophenyl]ethanol (CID 164718834) is (1R)-1-[2-[5-[[3-(2,2-difluoroethyl)-1-methylpyrazol-5-yl]methyl]-3-(difluoromethyl)pyrazol-1-yl]-5-fluorophenyl]ethanol.
What is the SMILES notation for (1R)-1-[2-[5-[[3-(2,2-difluoroethyl)-1-methylpyrazol-5-yl]methyl]-3-(difluoromethyl)pyrazol-1-yl]-5-fluorophenyl]ethanol?
The canonical SMILES for (1R)-1-[2-[5-[[3-(2,2-difluoroethyl)-1-methylpyrazol-5-yl]methyl]-3-(difluoromethyl)pyrazol-1-yl]-5-fluorophenyl]ethanol is C[C@@H](O)c1cc(F)ccc1-n1nc(C(F)F)cc1Cc1cc(CC(F)F)nn1C.
What is the InChIKey of (1R)-1-[2-[5-[[3-(2,2-difluoroethyl)-1-methylpyrazol-5-yl]methyl]-3-(difluoromethyl)pyrazol-1-yl]-5-fluorophenyl]ethanol?
The InChIKey is WLXVFPRTXRPMTA-SNVBAGLBSA-N. The full InChI is InChI=1S/C19H19F5N4O/c1-10(29)15-5-11(20)3-4-17(15)28-14(9-16(26-28)19(23)24)8-13-6-12(7-18(21)22)25-27(13)2/h3-6,9-10,18-19,29H,7-8H2,1-2H3/t10-/m1/s1.
What are the key properties of (1R)-1-[2-[5-[[3-(2,2-difluoroethyl)-1-methylpyrazol-5-yl]methyl]-3-(difluoromethyl)pyrazol-1-yl]-5-fluorophenyl]ethanol?
(1R)-1-[2-[5-[[3-(2,2-difluoroethyl)-1-methylpyrazol-5-yl]methyl]-3-(difluoromethyl)pyrazol-1-yl]-5-fluorophenyl]ethanol has a molecular weight of 414.38 g/mol, XLogP of 4.13, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-[5-[[3-(2,2-difluoroethyl)-1-methylpyrazol-5-yl]methyl]-3-(difluoromethyl)pyrazol-1-yl]-5-fluorophenyl]ethanol is sourced from PubChem (CID 164718834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).