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

C18H19F3N4O — CID 164718983

IUPAC(1R)-1-[2-[3-(difluoromethyl)-5-[(1-ethylpyrazol-4-yl)methyl]pyrazol-1-yl]-5-fluorophenyl]ethanol
SMILESCCN1C=C(C=N1)CC2=CC(=NN2C3=C(C=C(C=C3)F)[C@@H](C)O)C(F)F
InChIInChI=1S/C18H19F3N4O/c1-3-24-10-12(9-22-24)6-14-8-16(18(20)21)23-25(14)17-5-4-13(19)7-15(17)11(2)26/h4-5,7-11,18,26H,3,6H2,1-2H3/t11-/m1/s1
InChIKeyNKVDCXVFVJMVPK-LLVKDONJSA-N
MW364.40 g/mol
LogP2.70
Rot. Bonds6

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

(1R)-1-[2-[3-(difluoromethyl)-5-[(1-ethylpyrazol-4-yl)methyl]pyrazol-1-yl]-5-fluorophenyl]ethanol (PubChem CID 164718983) has the molecular formula C18H19F3N4O and a molecular weight of 364.40 g/mol. Its IUPAC name is (1R)-1-[2-[3-(difluoromethyl)-5-[(1-ethylpyrazol-4-yl)methyl]pyrazol-1-yl]-5-fluorophenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[2-[3-(difluoromethyl)-5-[(1-ethylpyrazol-4-yl)methyl]pyrazol-1-yl]-5-fluorophenyl]ethanol
PubChem CID164718983
Molecular FormulaC18H19F3N4O
Molecular Weight364.40 g/mol
Exact Mass364.15
IUPAC Name(1R)-1-[2-[3-(difluoromethyl)-5-[(1-ethylpyrazol-4-yl)methyl]pyrazol-1-yl]-5-fluorophenyl]ethanol
SMILESCCN1C=C(C=N1)CC2=CC(=NN2C3=C(C=C(C=C3)F)[C@@H](C)O)C(F)F
InChIInChI=1S/C18H19F3N4O/c1-3-24-10-12(9-22-24)6-14-8-16(18(20)21)23-25(14)17-5-4-13(19)7-15(17)11(2)26/h4-5,7-11,18,26H,3,6H2,1-2H3/t11-/m1/s1
InChIKeyNKVDCXVFVJMVPK-LLVKDONJSA-N
XLogP2.70
TPSA55.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity458

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 52.70
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-ethylpyrazol-4-yl)methyl]pyrazol-1-yl]-5-fluorophenyl]ethanol?
The IUPAC name of (1R)-1-[2-[3-(difluoromethyl)-5-[(1-ethylpyrazol-4-yl)methyl]pyrazol-1-yl]-5-fluorophenyl]ethanol (CID 164718983) is (1R)-1-[2-[3-(difluoromethyl)-5-[(1-ethylpyrazol-4-yl)methyl]pyrazol-1-yl]-5-fluorophenyl]ethanol.
What is the SMILES notation for (1R)-1-[2-[3-(difluoromethyl)-5-[(1-ethylpyrazol-4-yl)methyl]pyrazol-1-yl]-5-fluorophenyl]ethanol?
The canonical SMILES for (1R)-1-[2-[3-(difluoromethyl)-5-[(1-ethylpyrazol-4-yl)methyl]pyrazol-1-yl]-5-fluorophenyl]ethanol is CCN1C=C(C=N1)CC2=CC(=NN2C3=C(C=C(C=C3)F)[C@@H](C)O)C(F)F.
What is the InChIKey of (1R)-1-[2-[3-(difluoromethyl)-5-[(1-ethylpyrazol-4-yl)methyl]pyrazol-1-yl]-5-fluorophenyl]ethanol?
The InChIKey is NKVDCXVFVJMVPK-LLVKDONJSA-N. The full InChI is InChI=1S/C18H19F3N4O/c1-3-24-10-12(9-22-24)6-14-8-16(18(20)21)23-25(14)17-5-4-13(19)7-15(17)11(2)26/h4-5,7-11,18,26H,3,6H2,1-2H3/t11-/m1/s1.
What are the key properties of (1R)-1-[2-[3-(difluoromethyl)-5-[(1-ethylpyrazol-4-yl)methyl]pyrazol-1-yl]-5-fluorophenyl]ethanol?
(1R)-1-[2-[3-(difluoromethyl)-5-[(1-ethylpyrazol-4-yl)methyl]pyrazol-1-yl]-5-fluorophenyl]ethanol has a molecular weight of 364.40 g/mol, XLogP of 2.70, 6 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-ethylpyrazol-4-yl)methyl]pyrazol-1-yl]-5-fluorophenyl]ethanol is sourced from PubChem (CID 164718983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).