(1R)-1-[2-[3-(difluoromethyl)-5-[(1-ethyl-3-methoxypyrazol-4-yl)methyl]pyrazol-1-yl]-5-fluorophenyl]ethanol

C19H21F3N4O2 — CID 164719215

IUPAC(1R)-1-[2-[3-(difluoromethyl)-5-[(1-ethyl-3-methoxypyrazol-4-yl)methyl]pyrazol-1-yl]-5-fluorophenyl]ethanol
SMILESCCn1cc(Cc2cc(C(F)F)nn2-c2ccc(F)cc2[C@@H](C)O)c(OC)n1
InChIInChI=1S/C19H21F3N4O2/c1-4-25-10-12(19(24-25)28-3)7-14-9-16(18(21)22)23-26(14)17-6-5-13(20)8-15(17)11(2)27/h5-6,8-11,18,27H,4,7H2,1-3H3/t11-/m1/s1
InChIKeyXUVIZBSXQSFADB-LLVKDONJSA-N
MW394.40 g/mol
LogP3.82
Rot. Bonds7

About (1R)-1-[2-[3-(difluoromethyl)-5-[(1-ethyl-3-methoxypyrazol-4-yl)methyl]pyrazol-1-yl]-5-fluorophenyl]ethanol

(1R)-1-[2-[3-(difluoromethyl)-5-[(1-ethyl-3-methoxypyrazol-4-yl)methyl]pyrazol-1-yl]-5-fluorophenyl]ethanol (PubChem CID 164719215) has the molecular formula C19H21F3N4O2 and a molecular weight of 394.40 g/mol. Its IUPAC name is (1R)-1-[2-[3-(difluoromethyl)-5-[(1-ethyl-3-methoxypyrazol-4-yl)methyl]pyrazol-1-yl]-5-fluorophenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[2-[3-(difluoromethyl)-5-[(1-ethyl-3-methoxypyrazol-4-yl)methyl]pyrazol-1-yl]-5-fluorophenyl]ethanol
PubChem CID164719215
Molecular FormulaC19H21F3N4O2
Molecular Weight394.40 g/mol
Exact Mass394.16
IUPAC Name(1R)-1-[2-[3-(difluoromethyl)-5-[(1-ethyl-3-methoxypyrazol-4-yl)methyl]pyrazol-1-yl]-5-fluorophenyl]ethanol
SMILESCCn1cc(Cc2cc(C(F)F)nn2-c2ccc(F)cc2[C@@H](C)O)c(OC)n1
InChIInChI=1S/C19H21F3N4O2/c1-4-25-10-12(19(24-25)28-3)7-14-9-16(18(21)22)23-26(14)17-6-5-13(20)8-15(17)11(2)27/h5-6,8-11,18,27H,4,7H2,1-3H3/t11-/m1/s1
InChIKeyXUVIZBSXQSFADB-LLVKDONJSA-N
XLogP3.82
TPSA65.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.40
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-[3-(difluoromethyl)-5-[(1-ethyl-3-methoxypyrazol-4-yl)methyl]pyrazol-1-yl]-5-fluorophenyl]ethanol?
The IUPAC name of (1R)-1-[2-[3-(difluoromethyl)-5-[(1-ethyl-3-methoxypyrazol-4-yl)methyl]pyrazol-1-yl]-5-fluorophenyl]ethanol (CID 164719215) is (1R)-1-[2-[3-(difluoromethyl)-5-[(1-ethyl-3-methoxypyrazol-4-yl)methyl]pyrazol-1-yl]-5-fluorophenyl]ethanol.
What is the SMILES notation for (1R)-1-[2-[3-(difluoromethyl)-5-[(1-ethyl-3-methoxypyrazol-4-yl)methyl]pyrazol-1-yl]-5-fluorophenyl]ethanol?
The canonical SMILES for (1R)-1-[2-[3-(difluoromethyl)-5-[(1-ethyl-3-methoxypyrazol-4-yl)methyl]pyrazol-1-yl]-5-fluorophenyl]ethanol is CCn1cc(Cc2cc(C(F)F)nn2-c2ccc(F)cc2[C@@H](C)O)c(OC)n1.
What is the InChIKey of (1R)-1-[2-[3-(difluoromethyl)-5-[(1-ethyl-3-methoxypyrazol-4-yl)methyl]pyrazol-1-yl]-5-fluorophenyl]ethanol?
The InChIKey is XUVIZBSXQSFADB-LLVKDONJSA-N. The full InChI is InChI=1S/C19H21F3N4O2/c1-4-25-10-12(19(24-25)28-3)7-14-9-16(18(21)22)23-26(14)17-6-5-13(20)8-15(17)11(2)27/h5-6,8-11,18,27H,4,7H2,1-3H3/t11-/m1/s1.
What are the key properties of (1R)-1-[2-[3-(difluoromethyl)-5-[(1-ethyl-3-methoxypyrazol-4-yl)methyl]pyrazol-1-yl]-5-fluorophenyl]ethanol?
(1R)-1-[2-[3-(difluoromethyl)-5-[(1-ethyl-3-methoxypyrazol-4-yl)methyl]pyrazol-1-yl]-5-fluorophenyl]ethanol has a molecular weight of 394.40 g/mol, XLogP of 3.82, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-[3-(difluoromethyl)-5-[(1-ethyl-3-methoxypyrazol-4-yl)methyl]pyrazol-1-yl]-5-fluorophenyl]ethanol is sourced from PubChem (CID 164719215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).