furan-2-yl-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone

C10H9F3N2O3 — CID 3146996

IUPACfuran-2-yl-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone
SMILESCC1=NN(C(=O)c2ccco2)C(O)(C(F)(F)F)C1
InChIInChI=1S/C10H9F3N2O3/c1-6-5-9(17,10(11,12)13)15(14-6)8(16)7-3-2-4-18-7/h2-4,17H,5H2,1H3
InChIKeyCNOZOOHUFWDWDQ-UHFFFAOYSA-N
MW262.19 g/mol
LogP1.75
Rot. Bonds1

About furan-2-yl-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone

furan-2-yl-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone (PubChem CID 3146996) has the molecular formula C10H9F3N2O3 and a molecular weight of 262.19 g/mol. Its IUPAC name is furan-2-yl-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone.

Molecular Properties

Compound Namefuran-2-yl-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone
PubChem CID3146996
Molecular FormulaC10H9F3N2O3
Molecular Weight262.19 g/mol
Exact Mass262.06
IUPAC Namefuran-2-yl-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone
SMILESCC1=NN(C(=O)c2ccco2)C(O)(C(F)(F)F)C1
InChIInChI=1S/C10H9F3N2O3/c1-6-5-9(17,10(11,12)13)15(14-6)8(16)7-3-2-4-18-7/h2-4,17H,5H2,1H3
InChIKeyCNOZOOHUFWDWDQ-UHFFFAOYSA-N
XLogP1.75
TPSA66.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.19
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

furan-2-yl-(5-hydroxy-3-methyl-5-phenyl-4H-pyrazol-1-yl)methanone
CID 3326515
furan-2-yl-[5-hydroxy-3-(4-methylphenyl)-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone
CID 3147093
[3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-[5-[(4-ethoxyphenoxy)methyl]furan-2-yl]methanone
CID 4135632
N-(tert-butyl)-3-(2-furoylhydrazono)butanamide
CID 5822222
[3-butyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(furan-2-yl)methanone
CID 3147040
1-(2-furoyl)-3-(3-methoxyphenyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol
CID 3147107
furan-2-yl-[5-hydroxy-3-(3-methylbutyl)-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone
CID 3148327
2-Furanyl-[3-hydroxy-3-(trifluoromethyl)-3a,4,5,6,7,8-hexahydrocyclohepta[c]pyrazol-2-yl]methanone
CID 3148328
furan-2-yl-[3-hydroxy-5-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydro-3aH-indazol-2-yl]methanone
CID 3152056
Ethyl 4-(2-furoyl)-4,5-diazaspiro[2.4]hept-5-ene-6-carboxylate
CID 565741
(3E)-N-(furan-2-ylmethyl)-3-[2-(methoxyacetyl)hydrazinylidene]butanamide
CID 6248555
furan-2-yl-[5-hydroxy-3-(2-methylpropyl)-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone
CID 3147055

Frequently Asked Questions

What is the IUPAC name of furan-2-yl-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone?
The IUPAC name of furan-2-yl-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone (CID 3146996) is furan-2-yl-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone.
What is the SMILES notation for furan-2-yl-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone?
The canonical SMILES for furan-2-yl-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone is CC1=NN(C(=O)c2ccco2)C(O)(C(F)(F)F)C1.
What is the InChIKey of furan-2-yl-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone?
The InChIKey is CNOZOOHUFWDWDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N2O3/c1-6-5-9(17,10(11,12)13)15(14-6)8(16)7-3-2-4-18-7/h2-4,17H,5H2,1H3.
What are the key properties of furan-2-yl-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone?
furan-2-yl-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone has a molecular weight of 262.19 g/mol, XLogP of 1.75, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone is sourced from PubChem (CID 3146996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).