1-[3-(4-methoxyphenyl)-5-(5-methylfuran-2-yl)-3,4-dihydropyrazol-2-yl]propan-1-one

C18H20N2O3 — CID 2960511

IUPAC1-[3-(4-methoxyphenyl)-5-(5-methylfuran-2-yl)-3,4-dihydropyrazol-2-yl]propan-1-one
SMILESCCC(=O)N1N=C(c2ccc(C)o2)CC1c1ccc(OC)cc1
InChIInChI=1S/C18H20N2O3/c1-4-18(21)20-16(13-6-8-14(22-3)9-7-13)11-15(19-20)17-10-5-12(2)23-17/h5-10,16H,4,11H2,1-3H3
InChIKeyOCOBVEAQRJVGJS-UHFFFAOYSA-N
MW312.37 g/mol
LogP3.68
Rot. Bonds4

About 1-[3-(4-methoxyphenyl)-5-(5-methylfuran-2-yl)-3,4-dihydropyrazol-2-yl]propan-1-one

1-[3-(4-methoxyphenyl)-5-(5-methylfuran-2-yl)-3,4-dihydropyrazol-2-yl]propan-1-one (PubChem CID 2960511) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is 1-[3-(4-methoxyphenyl)-5-(5-methylfuran-2-yl)-3,4-dihydropyrazol-2-yl]propan-1-one.

Molecular Properties

Compound Name1-[3-(4-methoxyphenyl)-5-(5-methylfuran-2-yl)-3,4-dihydropyrazol-2-yl]propan-1-one
PubChem CID2960511
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Name1-[3-(4-methoxyphenyl)-5-(5-methylfuran-2-yl)-3,4-dihydropyrazol-2-yl]propan-1-one
SMILESCCC(=O)N1N=C(c2ccc(C)o2)CC1c1ccc(OC)cc1
InChIInChI=1S/C18H20N2O3/c1-4-18(21)20-16(13-6-8-14(22-3)9-7-13)11-15(19-20)17-10-5-12(2)23-17/h5-10,16H,4,11H2,1-3H3
InChIKeyOCOBVEAQRJVGJS-UHFFFAOYSA-N
XLogP3.68
TPSA55.04 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-4-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]phthalazin-1-one
CID 56668789
(3-(3,4-dimethoxyphenyl)-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl)(phenyl)methanone
CID 3755793
N,N-dimethyl-4-[3-(5-methyl-2-furyl)-1-propionyl-4,5-dihydro-1H-pyrazol-5-yl]aniline
CID 2960215
1-(5-(furan-2-yl)-3-(p-tolyl)-4,5-dihydro-1H-pyrazol-1-yl)propan-1-one
CID 3831781
(4-methoxyphenyl)[3-phenyl-5,6-dihydro-1(4H)-pyridazinyl]methanone
CID 1484235
1-(5-(furan-2-yl)-3-(p-tolyl)-4,5-dihydro-1H-pyrazol-1-yl)ethanone
CID 2951698
5-(4-bromophenyl)-3-(5-methyl-2-furyl)-1-propionyl-4,5-dihydro-1H-pyrazole
CID 2958957
(5-(furan-2-yl)-3-(p-tolyl)-4,5-dihydro-1H-pyrazol-1-yl)(tetrahydrofuran-2-yl)methanone
CID 3153481
1-(3-Furan-2-yl-5-p-tolyl-4,5-dihydro-pyrazol-1-yl)-ethanone
CID 3504925
4-[(4-ethoxyphenyl)methyl]-2-[[(2R)-1-methylpyrrolidin-2-yl]methyl]phthalazin-1-one
CID 52937629
1-{4-(furan-2-yl)-3-[(4-methoxyphenyl)carbonyl]-4,5-dihydro-1H-pyrazol-1-yl}ethanone
CID 5001642
1-(5-(4-fluorophenyl)-3-(5-methylfuran-2-yl)-4,5-dihydro-1H-pyrazol-1-yl)ethanone
CID 2856918

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-methoxyphenyl)-5-(5-methylfuran-2-yl)-3,4-dihydropyrazol-2-yl]propan-1-one?
The IUPAC name of 1-[3-(4-methoxyphenyl)-5-(5-methylfuran-2-yl)-3,4-dihydropyrazol-2-yl]propan-1-one (CID 2960511) is 1-[3-(4-methoxyphenyl)-5-(5-methylfuran-2-yl)-3,4-dihydropyrazol-2-yl]propan-1-one.
What is the SMILES notation for 1-[3-(4-methoxyphenyl)-5-(5-methylfuran-2-yl)-3,4-dihydropyrazol-2-yl]propan-1-one?
The canonical SMILES for 1-[3-(4-methoxyphenyl)-5-(5-methylfuran-2-yl)-3,4-dihydropyrazol-2-yl]propan-1-one is CCC(=O)N1N=C(c2ccc(C)o2)CC1c1ccc(OC)cc1.
What is the InChIKey of 1-[3-(4-methoxyphenyl)-5-(5-methylfuran-2-yl)-3,4-dihydropyrazol-2-yl]propan-1-one?
The InChIKey is OCOBVEAQRJVGJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-4-18(21)20-16(13-6-8-14(22-3)9-7-13)11-15(19-20)17-10-5-12(2)23-17/h5-10,16H,4,11H2,1-3H3.
What are the key properties of 1-[3-(4-methoxyphenyl)-5-(5-methylfuran-2-yl)-3,4-dihydropyrazol-2-yl]propan-1-one?
1-[3-(4-methoxyphenyl)-5-(5-methylfuran-2-yl)-3,4-dihydropyrazol-2-yl]propan-1-one has a molecular weight of 312.37 g/mol, XLogP of 3.68, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-methoxyphenyl)-5-(5-methylfuran-2-yl)-3,4-dihydropyrazol-2-yl]propan-1-one is sourced from PubChem (CID 2960511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).