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

C16H13F3N2O4 — CID 3147107

IUPACfuran-2-yl-[5-hydroxy-3-(3-methoxyphenyl)-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone
SMILESCOc1cccc(C2=NN(C(=O)c3ccco3)C(O)(C(F)(F)F)C2)c1
InChIInChI=1S/C16H13F3N2O4/c1-24-11-5-2-4-10(8-11)12-9-15(23,16(17,18)19)21(20-12)14(22)13-6-3-7-25-13/h2-8,23H,9H2,1H3
InChIKeyXVRTYXDDNKVWME-UHFFFAOYSA-N
MW354.28 g/mol
LogP2.79
Rot. Bonds3

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

furan-2-yl-[5-hydroxy-3-(3-methoxyphenyl)-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone (PubChem CID 3147107) has the molecular formula C16H13F3N2O4 and a molecular weight of 354.28 g/mol. Its IUPAC name is furan-2-yl-[5-hydroxy-3-(3-methoxyphenyl)-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone.

Molecular Properties

Compound Namefuran-2-yl-[5-hydroxy-3-(3-methoxyphenyl)-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone
PubChem CID3147107
Molecular FormulaC16H13F3N2O4
Molecular Weight354.28 g/mol
Exact Mass354.08
IUPAC Namefuran-2-yl-[5-hydroxy-3-(3-methoxyphenyl)-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone
SMILESCOc1cccc(C2=NN(C(=O)c3ccco3)C(O)(C(F)(F)F)C2)c1
InChIInChI=1S/C16H13F3N2O4/c1-24-11-5-2-4-10(8-11)12-9-15(23,16(17,18)19)21(20-12)14(22)13-6-3-7-25-13/h2-8,23H,9H2,1H3
InChIKeyXVRTYXDDNKVWME-UHFFFAOYSA-N
XLogP2.79
TPSA75.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.28
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Furan-2-yl-[3-(furan-2-yl)-5-(3-methoxyphenyl)-3,4-dihydropyrazol-2-yl]methanone
CID 2963372
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-(naphthalen-2-yloxymethyl)furan-2-yl]methanone
CID 3402737
[3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-[5-[(3,5-dimethylphenoxy)methyl]furan-2-yl]methanone
CID 4151262
3-(3-methoxyphenyl)-1-(5-methyl-2-furoyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol
CID 2916647
[3-butyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(furan-2-yl)methanone
CID 3147040
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
3-(4-bromophenyl)-1-(2-furoyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol
CID 4463586
furan-2-yl(5-(2-methoxyphenyl)-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl)methanone
CID 16331321

Frequently Asked Questions

What is the IUPAC name of furan-2-yl-[5-hydroxy-3-(3-methoxyphenyl)-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone?
The IUPAC name of furan-2-yl-[5-hydroxy-3-(3-methoxyphenyl)-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone (CID 3147107) is furan-2-yl-[5-hydroxy-3-(3-methoxyphenyl)-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone.
What is the SMILES notation for furan-2-yl-[5-hydroxy-3-(3-methoxyphenyl)-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone?
The canonical SMILES for furan-2-yl-[5-hydroxy-3-(3-methoxyphenyl)-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone is COc1cccc(C2=NN(C(=O)c3ccco3)C(O)(C(F)(F)F)C2)c1.
What is the InChIKey of furan-2-yl-[5-hydroxy-3-(3-methoxyphenyl)-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone?
The InChIKey is XVRTYXDDNKVWME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N2O4/c1-24-11-5-2-4-10(8-11)12-9-15(23,16(17,18)19)21(20-12)14(22)13-6-3-7-25-13/h2-8,23H,9H2,1H3.
What are the key properties of furan-2-yl-[5-hydroxy-3-(3-methoxyphenyl)-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone?
furan-2-yl-[5-hydroxy-3-(3-methoxyphenyl)-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone has a molecular weight of 354.28 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-[5-hydroxy-3-(3-methoxyphenyl)-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone is sourced from PubChem (CID 3147107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).