[(5R)-3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-(furan-2-yl)methanone

C10H8F4N2O3 — CID 842848

IUPAC[(5R)-3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-(furan-2-yl)methanone
SMILESO=C(c1ccco1)N1N=C(C(F)F)C[C@@]1(O)C(F)F
InChIInChI=1S/C10H8F4N2O3/c11-7(12)5-4-10(18,9(13)14)16(15-5)8(17)6-2-1-3-19-6/h1-3,7,9,18H,4H2/t10-/m1/s1
InChIKeyANSNAITVLLVWMB-SNVBAGLBSA-N
MW280.18 g/mol
LogP1.70
Rot. Bonds3

About [(5R)-3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-(furan-2-yl)methanone

[(5R)-3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-(furan-2-yl)methanone (PubChem CID 842848) has the molecular formula C10H8F4N2O3 and a molecular weight of 280.18 g/mol. Its IUPAC name is [(5R)-3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[(5R)-3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-(furan-2-yl)methanone
PubChem CID842848
Molecular FormulaC10H8F4N2O3
Molecular Weight280.18 g/mol
Exact Mass280.05
IUPAC Name[(5R)-3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-(furan-2-yl)methanone
SMILESO=C(c1ccco1)N1N=C(C(F)F)C[C@@]1(O)C(F)F
InChIInChI=1S/C10H8F4N2O3/c11-7(12)5-4-10(18,9(13)14)16(15-5)8(17)6-2-1-3-19-6/h1-3,7,9,18H,4H2/t10-/m1/s1
InChIKeyANSNAITVLLVWMB-SNVBAGLBSA-N
XLogP1.70
TPSA66.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.18
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-(4-bromophenyl)methanone
CID 4119354
[5-(difluoromethyl)-3-(difluoromethylidene)-5-hydroxypyrazolidin-1-yl]-(furan-2-yl)methanone
CID 4744823
[(5S)-3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-[3-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]methanone
CID 40737946
[(5R)-3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-(2,4,5-trimethoxyphenyl)methanone
CID 40619085
1-[3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-2-(4-nitrophenyl)ethanone
CID 5155659
furan-2-yl-(5-hydroxy-3-methyl-5-pyridin-3-yl-4H-pyrazol-1-yl)methanone
CID 3148321
furan-2-yl-[(5S)-3-hexyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone
CID 40502190
furan-2-yl-[3-hexyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone
CID 3142710
[(3S,3aR,5R)-3-hydroxy-5-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydro-3aH-indazol-2-yl]-(furan-2-yl)methanone
CID 6542780
(4-cyclopropylidenepiperidin-1-yl)-(furan-2-yl)methanone
CID 121184150
[4-[4-(difluoromethylsulfonyl)phenyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 55823789
azepan-1-yl(furan-2-yl)methanone
CID 5200992

Frequently Asked Questions

What is the IUPAC name of [(5R)-3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-(furan-2-yl)methanone?
The IUPAC name of [(5R)-3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-(furan-2-yl)methanone (CID 842848) is [(5R)-3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-(furan-2-yl)methanone.
What is the SMILES notation for [(5R)-3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-(furan-2-yl)methanone?
The canonical SMILES for [(5R)-3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-(furan-2-yl)methanone is O=C(c1ccco1)N1N=C(C(F)F)C[C@@]1(O)C(F)F.
What is the InChIKey of [(5R)-3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-(furan-2-yl)methanone?
The InChIKey is ANSNAITVLLVWMB-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H8F4N2O3/c11-7(12)5-4-10(18,9(13)14)16(15-5)8(17)6-2-1-3-19-6/h1-3,7,9,18H,4H2/t10-/m1/s1.
What are the key properties of [(5R)-3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-(furan-2-yl)methanone?
[(5R)-3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-(furan-2-yl)methanone has a molecular weight of 280.18 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(5R)-3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-(furan-2-yl)methanone is sourced from PubChem (CID 842848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).