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

C17H15F3N2O4 — CID 19585094

IUPAC[5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-[5-[(3-methylphenoxy)methyl]furan-2-yl]methanone
SMILESCc1cccc(OCc2ccc(C(=O)N3N=CCC3(O)C(F)(F)F)o2)c1
InChIInChI=1S/C17H15F3N2O4/c1-11-3-2-4-12(9-11)25-10-13-5-6-14(26-13)15(23)22-16(24,7-8-21-22)17(18,19)20/h2-6,8-9,24H,7,10H2,1H3
InChIKeyZINGKQLKSWWEQQ-UHFFFAOYSA-N
MW368.31 g/mol
LogP3.25
Rot. Bonds4

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

[5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-[5-[(3-methylphenoxy)methyl]furan-2-yl]methanone (PubChem CID 19585094) has the molecular formula C17H15F3N2O4 and a molecular weight of 368.31 g/mol. Its IUPAC name is [5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-[5-[(3-methylphenoxy)methyl]furan-2-yl]methanone.

Molecular Properties

Compound Name[5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-[5-[(3-methylphenoxy)methyl]furan-2-yl]methanone
PubChem CID19585094
Molecular FormulaC17H15F3N2O4
Molecular Weight368.31 g/mol
Exact Mass368.10
IUPAC Name[5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-[5-[(3-methylphenoxy)methyl]furan-2-yl]methanone
SMILESCc1cccc(OCc2ccc(C(=O)N3N=CCC3(O)C(F)(F)F)o2)c1
InChIInChI=1S/C17H15F3N2O4/c1-11-3-2-4-12(9-11)25-10-13-5-6-14(26-13)15(23)22-16(24,7-8-21-22)17(18,19)20/h2-6,8-9,24H,7,10H2,1H3
InChIKeyZINGKQLKSWWEQQ-UHFFFAOYSA-N
XLogP3.25
TPSA75.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.31
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[5-[(4-chloro-3-methylphenoxy)methyl]furan-2-yl]-[5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone
CID 17023625
[5-[(4-chlorophenoxy)methyl]furan-2-yl]-[(5S)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone
CID 40646629
[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-[5-[(4-iodophenoxy)methyl]furan-2-yl]methanone
CID 4769683
4-[[3-[(5R)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazole-1-carbonyl]phenyl]methoxy]benzonitrile
CID 40646550
[(5S)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-[3-[(2-methoxyphenoxy)methyl]phenyl]methanone
CID 40621733
N-(2,6-dimethylphenyl)-5-[(3-methylphenoxy)methyl]furan-2-carboxamide
CID 19465597
2-[1,1-dimethyl-2-[5-[(3-methylphenoxy)methyl]furan-2-carbonyl]diazetidin-1-ium-3-yl]acetic acid
CID 145473516
5-[(3-methylphenoxy)methyl]-N-(2-methylpropyl)furan-2-carboxamide
CID 19467228
N-(2-fluoro-5-methylphenyl)-5-[(3-methylphenoxy)methyl]furan-2-carboxamide
CID 19467243
N-(3-methylphenyl)-5-(phenoxymethyl)furan-2-carboxamide
CID 7464174
5-[(3-methylphenoxy)methyl]-N-(1-phenylethyl)furan-2-carboxamide
CID 19465616
N-[(1-ethylpyrazol-4-yl)methyl]-5-[(3-methylphenoxy)methyl]furan-2-carboxamide
CID 19467233

Frequently Asked Questions

What is the IUPAC name of [5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-[5-[(3-methylphenoxy)methyl]furan-2-yl]methanone?
The IUPAC name of [5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-[5-[(3-methylphenoxy)methyl]furan-2-yl]methanone (CID 19585094) is [5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-[5-[(3-methylphenoxy)methyl]furan-2-yl]methanone.
What is the SMILES notation for [5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-[5-[(3-methylphenoxy)methyl]furan-2-yl]methanone?
The canonical SMILES for [5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-[5-[(3-methylphenoxy)methyl]furan-2-yl]methanone is Cc1cccc(OCc2ccc(C(=O)N3N=CCC3(O)C(F)(F)F)o2)c1.
What is the InChIKey of [5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-[5-[(3-methylphenoxy)methyl]furan-2-yl]methanone?
The InChIKey is ZINGKQLKSWWEQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N2O4/c1-11-3-2-4-12(9-11)25-10-13-5-6-14(26-13)15(23)22-16(24,7-8-21-22)17(18,19)20/h2-6,8-9,24H,7,10H2,1H3.
What are the key properties of [5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-[5-[(3-methylphenoxy)methyl]furan-2-yl]methanone?
[5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-[5-[(3-methylphenoxy)methyl]furan-2-yl]methanone has a molecular weight of 368.31 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-[5-[(3-methylphenoxy)methyl]furan-2-yl]methanone is sourced from PubChem (CID 19585094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).