[3-[(E)-2-(furan-3-yl)ethenyl]pyrazol-1-yl]-(3-hydroxyphenyl)methanone

C16H12N2O3 — CID 58958001

IUPAC[3-[(E)-2-(furan-3-yl)ethenyl]pyrazol-1-yl]-(3-hydroxyphenyl)methanone
SMILESO=C(c1cccc(O)c1)n1ccc(/C=C/c2ccoc2)n1
InChIInChI=1S/C16H12N2O3/c19-15-3-1-2-13(10-15)16(20)18-8-6-14(17-18)5-4-12-7-9-21-11-12/h1-11,19H/b5-4+
InChIKeyGZVFIUKWURWAEP-SNAWJCMRSA-N
MW280.28 g/mol
LogP3.04
Rot. Bonds3

About [3-[(E)-2-(furan-3-yl)ethenyl]pyrazol-1-yl]-(3-hydroxyphenyl)methanone

[3-[(E)-2-(furan-3-yl)ethenyl]pyrazol-1-yl]-(3-hydroxyphenyl)methanone (PubChem CID 58958001) has the molecular formula C16H12N2O3 and a molecular weight of 280.28 g/mol. Its IUPAC name is [3-[(E)-2-(furan-3-yl)ethenyl]pyrazol-1-yl]-(3-hydroxyphenyl)methanone.

Molecular Properties

Compound Name[3-[(E)-2-(furan-3-yl)ethenyl]pyrazol-1-yl]-(3-hydroxyphenyl)methanone
PubChem CID58958001
Molecular FormulaC16H12N2O3
Molecular Weight280.28 g/mol
Exact Mass280.08
IUPAC Name[3-[(E)-2-(furan-3-yl)ethenyl]pyrazol-1-yl]-(3-hydroxyphenyl)methanone
SMILESO=C(c1cccc(O)c1)n1ccc(/C=C/c2ccoc2)n1
InChIInChI=1S/C16H12N2O3/c19-15-3-1-2-13(10-15)16(20)18-8-6-14(17-18)5-4-12-7-9-21-11-12/h1-11,19H/b5-4+
InChIKeyGZVFIUKWURWAEP-SNAWJCMRSA-N
XLogP3.04
TPSA68.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-[(E)-2-(1H-pyrrol-3-yl)ethenyl]pyrazole-1-carbonyl]benzonitrile
CID 135895400
furan-2-yl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone
CID 42633899
1,3-benzodioxol-5-yl-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;3-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazole-1-carbonyl]benzonitrile;[3-[(E)-2-(furan-3-yl)ethenyl]pyrazol-1-yl]-(3-hydroxyphenyl)methanone;(3-hydroxyphenyl)-[3-[(E)-2-(1H-pyrrol-2-yl)ethenyl]pyrazol-1-yl]methanone;(3-hydroxyphenyl)-[3-[(E)-2-(1H-pyrrol-3-yl)ethenyl]pyrazol-1-yl]methanone;(3-hydroxyphenyl)-[3-[(E)-2-thiophen-3-ylethenyl]pyrazol-1-yl]methanone;4-[3-[(E)-2-thiophen-2-ylethenyl]pyrazole-1-carbonyl]benzoic acid
CID 158857409
methyl 3-[(E)-2-(furan-3-yl)ethenyl]benzoate
CID 102437216
(E)-3-(1-ethylpyrazol-3-yl)-1-(3-hydroxyphenyl)prop-2-en-1-one
CID 19562866
(3-methylphenyl)-(3-methylpyrazol-1-yl)methanone
CID 917594
thiophen-3-yl-[3-(2-thiophen-2-ylethenyl)pyrazol-1-yl]methanone
CID 66962023
(3-hydroxyphenyl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 78785217
1,2-bis(3-hydroxyphenyl)ethane-1,2-dione
CID 13158606
[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-(3-hydroxyphenyl)methanone
CID 79403646
N-[(3aR,4R,7R,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydro-4,7-epoxyisoindol-2-yl]-3-hydroxybenzamide
CID 98259989
thiophen-2-yl-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone
CID 42634273

Frequently Asked Questions

What is the IUPAC name of [3-[(E)-2-(furan-3-yl)ethenyl]pyrazol-1-yl]-(3-hydroxyphenyl)methanone?
The IUPAC name of [3-[(E)-2-(furan-3-yl)ethenyl]pyrazol-1-yl]-(3-hydroxyphenyl)methanone (CID 58958001) is [3-[(E)-2-(furan-3-yl)ethenyl]pyrazol-1-yl]-(3-hydroxyphenyl)methanone.
What is the SMILES notation for [3-[(E)-2-(furan-3-yl)ethenyl]pyrazol-1-yl]-(3-hydroxyphenyl)methanone?
The canonical SMILES for [3-[(E)-2-(furan-3-yl)ethenyl]pyrazol-1-yl]-(3-hydroxyphenyl)methanone is O=C(c1cccc(O)c1)n1ccc(/C=C/c2ccoc2)n1.
What is the InChIKey of [3-[(E)-2-(furan-3-yl)ethenyl]pyrazol-1-yl]-(3-hydroxyphenyl)methanone?
The InChIKey is GZVFIUKWURWAEP-SNAWJCMRSA-N. The full InChI is InChI=1S/C16H12N2O3/c19-15-3-1-2-13(10-15)16(20)18-8-6-14(17-18)5-4-12-7-9-21-11-12/h1-11,19H/b5-4+.
What are the key properties of [3-[(E)-2-(furan-3-yl)ethenyl]pyrazol-1-yl]-(3-hydroxyphenyl)methanone?
[3-[(E)-2-(furan-3-yl)ethenyl]pyrazol-1-yl]-(3-hydroxyphenyl)methanone has a molecular weight of 280.28 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(E)-2-(furan-3-yl)ethenyl]pyrazol-1-yl]-(3-hydroxyphenyl)methanone is sourced from PubChem (CID 58958001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).