[3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-(oxolan-2-yl)methanone

C19H20N2O3 — CID 3153481

IUPAC[3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-(oxolan-2-yl)methanone
SMILESCc1ccc(C2=NN(C(=O)C3CCCO3)C(c3ccco3)C2)cc1
InChIInChI=1S/C19H20N2O3/c1-13-6-8-14(9-7-13)15-12-16(17-4-2-10-23-17)21(20-15)19(22)18-5-3-11-24-18/h2,4,6-10,16,18H,3,5,11-12H2,1H3
InChIKeyOUPZKVPAJKDOHG-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.44
Rot. Bonds3

About [3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-(oxolan-2-yl)methanone

[3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-(oxolan-2-yl)methanone (PubChem CID 3153481) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is [3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-(oxolan-2-yl)methanone.

Molecular Properties

Compound Name[3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-(oxolan-2-yl)methanone
PubChem CID3153481
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name[3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-(oxolan-2-yl)methanone
SMILESCc1ccc(C2=NN(C(=O)C3CCCO3)C(c3ccco3)C2)cc1
InChIInChI=1S/C19H20N2O3/c1-13-6-8-14(9-7-13)15-12-16(17-4-2-10-23-17)21(20-15)19(22)18-5-3-11-24-18/h2,4,6-10,16,18H,3,5,11-12H2,1H3
InChIKeyOUPZKVPAJKDOHG-UHFFFAOYSA-N
XLogP3.44
TPSA55.04 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(3,4-Dimethoxyphenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-(furan-2-yl)methanone
CID 2952169
Furan-2-yl-[3-(furan-2-yl)-5-(3-methoxyphenyl)-3,4-dihydropyrazol-2-yl]methanone
CID 2963372
N-{4-[5-(furan-2-yl)-1-(furan-2-ylcarbonyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl}methanesulfonamide
CID 2980034
5-(4-methoxyphenyl)-3-(5-methyl-2-furyl)-1-propionyl-4,5-dihydro-1H-pyrazole
CID 2960511
furan-2-yl-(5-hydroxy-3-methyl-5-phenyl-4H-pyrazol-1-yl)methanone
CID 3326515
N-[[2-methyl-5-(3-methyl-4-oxophthalazin-1-yl)phenyl]methyl]furan-2-carboxamide
CID 661961
furan-2-yl-[5-hydroxy-3-(4-methylphenyl)-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone
CID 3147093
(3-(4-chlorophenyl)-5-(furan-2-yl)-4,5-dihydro-1H-pyrazol-1-yl)(furan-2-yl)methanone
CID 3248551
1-[5-(4-Chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]ethanone
CID 3582260
1-(5-(furan-2-yl)-3-(p-tolyl)-4,5-dihydro-1H-pyrazol-1-yl)propan-1-one
CID 3831781
1-(5-(furan-2-yl)-3-(p-tolyl)-4,5-dihydro-1H-pyrazol-1-yl)ethanone
CID 2951698
(5-bromofuran-2-yl)(5-(4-methoxyphenyl)-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl)methanone
CID 3113152

Frequently Asked Questions

What is the IUPAC name of [3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-(oxolan-2-yl)methanone?
The IUPAC name of [3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-(oxolan-2-yl)methanone (CID 3153481) is [3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-(oxolan-2-yl)methanone.
What is the SMILES notation for [3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-(oxolan-2-yl)methanone?
The canonical SMILES for [3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-(oxolan-2-yl)methanone is Cc1ccc(C2=NN(C(=O)C3CCCO3)C(c3ccco3)C2)cc1.
What is the InChIKey of [3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-(oxolan-2-yl)methanone?
The InChIKey is OUPZKVPAJKDOHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-13-6-8-14(9-7-13)15-12-16(17-4-2-10-23-17)21(20-15)19(22)18-5-3-11-24-18/h2,4,6-10,16,18H,3,5,11-12H2,1H3.
What are the key properties of [3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-(oxolan-2-yl)methanone?
[3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-(oxolan-2-yl)methanone has a molecular weight of 324.38 g/mol, XLogP of 3.44, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-(oxolan-2-yl)methanone is sourced from PubChem (CID 3153481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).