1-[(3R)-5-(furan-2-yl)-3-(4-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]butan-1-one

C17H18N2O3 — CID 97097838

IUPAC1-[(3R)-5-(furan-2-yl)-3-(4-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]butan-1-one
SMILESCCCC(=O)N1N=C(c2ccco2)C[C@@H]1c1ccc(O)cc1
InChIInChI=1S/C17H18N2O3/c1-2-4-17(21)19-15(12-6-8-13(20)9-7-12)11-14(18-19)16-5-3-10-22-16/h3,5-10,15,20H,2,4,11H2,1H3/t15-/m1/s1
InChIKeyANZSWUKGHYXMBE-OAHLLOKOSA-N
MW298.34 g/mol
LogP3.46
Rot. Bonds4

About 1-[(3R)-5-(furan-2-yl)-3-(4-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]butan-1-one

1-[(3R)-5-(furan-2-yl)-3-(4-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]butan-1-one (PubChem CID 97097838) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is 1-[(3R)-5-(furan-2-yl)-3-(4-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]butan-1-one.

Molecular Properties

Compound Name1-[(3R)-5-(furan-2-yl)-3-(4-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]butan-1-one
PubChem CID97097838
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC Name1-[(3R)-5-(furan-2-yl)-3-(4-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]butan-1-one
SMILESCCCC(=O)N1N=C(c2ccco2)C[C@@H]1c1ccc(O)cc1
InChIInChI=1S/C17H18N2O3/c1-2-4-17(21)19-15(12-6-8-13(20)9-7-12)11-14(18-19)16-5-3-10-22-16/h3,5-10,15,20H,2,4,11H2,1H3/t15-/m1/s1
InChIKeyANZSWUKGHYXMBE-OAHLLOKOSA-N
XLogP3.46
TPSA66.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(3R)-5-(furan-2-yl)-3-(4-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]butan-1-one with MolForge

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Related Compounds

4-[(3S)-3-(4-ethylphenyl)-5-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid
CID 97426901
3-(diethylamino)-1-[(3S)-5-(furan-2-yl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]propan-1-one
CID 97182951
4-[5-(furan-2-yl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid
CID 47087843
1-[5-(furan-2-yl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-3-morpholin-4-ylpropan-1-one
CID 71844170
4-[3-(3,4-dimethoxyphenyl)-5-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid
CID 75510829
1-[5-(furan-2-yl)-3-(4-nitrophenyl)-3,4-dihydropyrazol-2-yl]ethanone
CID 15716865
4-[(3S)-5-(furan-2-yl)-3-(2-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid
CID 97286795
3-(diethylamino)-1-[(3R)-5-(furan-2-yl)-3-(3-methylphenyl)-3,4-dihydropyrazol-2-yl]propan-1-one
CID 99798482
4-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid
CID 3153482
4-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoate
CID 78468948
1-[5-(furan-2-yl)-3-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]ethanone
CID 53317215
[5-(furan-2-yl)-3-phenyl-3,4-dihydropyrazol-2-yl]-phenylmethanone
CID 75510830

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-5-(furan-2-yl)-3-(4-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]butan-1-one?
The IUPAC name of 1-[(3R)-5-(furan-2-yl)-3-(4-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]butan-1-one (CID 97097838) is 1-[(3R)-5-(furan-2-yl)-3-(4-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]butan-1-one.
What is the SMILES notation for 1-[(3R)-5-(furan-2-yl)-3-(4-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]butan-1-one?
The canonical SMILES for 1-[(3R)-5-(furan-2-yl)-3-(4-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]butan-1-one is CCCC(=O)N1N=C(c2ccco2)C[C@@H]1c1ccc(O)cc1.
What is the InChIKey of 1-[(3R)-5-(furan-2-yl)-3-(4-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]butan-1-one?
The InChIKey is ANZSWUKGHYXMBE-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-2-4-17(21)19-15(12-6-8-13(20)9-7-12)11-14(18-19)16-5-3-10-22-16/h3,5-10,15,20H,2,4,11H2,1H3/t15-/m1/s1.
What are the key properties of 1-[(3R)-5-(furan-2-yl)-3-(4-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]butan-1-one?
1-[(3R)-5-(furan-2-yl)-3-(4-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]butan-1-one has a molecular weight of 298.34 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-5-(furan-2-yl)-3-(4-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]butan-1-one is sourced from PubChem (CID 97097838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).