[3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-(furan-2-yl)methanone

C18H13FN2O2S — CID 2952032

IUPAC[3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-(furan-2-yl)methanone
SMILESO=C(c1ccco1)N1N=C(c2cccs2)CC1c1ccc(F)cc1
InChIInChI=1S/C18H13FN2O2S/c19-13-7-5-12(6-8-13)15-11-14(17-4-2-10-24-17)20-21(15)18(22)16-3-1-9-23-16/h1-10,15H,11H2
InChIKeySEMMPMQLMKQBQN-UHFFFAOYSA-N
MW340.38 g/mol
LogP4.47
Rot. Bonds3

About [3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-(furan-2-yl)methanone

[3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-(furan-2-yl)methanone (PubChem CID 2952032) has the molecular formula C18H13FN2O2S and a molecular weight of 340.38 g/mol. Its IUPAC name is [3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-(furan-2-yl)methanone
PubChem CID2952032
Molecular FormulaC18H13FN2O2S
Molecular Weight340.38 g/mol
Exact Mass340.07
IUPAC Name[3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-(furan-2-yl)methanone
SMILESO=C(c1ccco1)N1N=C(c2cccs2)CC1c1ccc(F)cc1
InChIInChI=1S/C18H13FN2O2S/c19-13-7-5-12(6-8-13)15-11-14(17-4-2-10-24-17)20-21(15)18(22)16-3-1-9-23-16/h1-10,15H,11H2
InChIKeySEMMPMQLMKQBQN-UHFFFAOYSA-N
XLogP4.47
TPSA45.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(3,4-Dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-(furan-2-yl)methanone
CID 4678785
(3-(3,4-dimethoxyphenyl)-5-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl)(furan-2-yl)methanone
CID 3785596
1-(2-Furylmethyl)-3-HO-5-PH-4-(2-thienylcarbonyl)-1,5-dihydro-2H-pyrrol-2-one
CID 2934282
(5-Bromofuran-2-yl)-[3-(4-methylphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]methanone
CID 2915215
Furan-2-yl-[3-(5-methylfuran-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]methanone
CID 2987949
1-(5-bromofuran-2-carbonyl)-5-(4-bromophenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazole
CID 3404668
Furan-2-yl-[4-(3-phenylthiophene-2-carbonyl)piperazin-1-yl]methanone
CID 2496667
(5-Bromofuran-2-yl)-[3-(4-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]methanone
CID 2915608
1-benzoyl-3-(2-furyl)-5-(2-thienyl)-4,5-dihydro-1H-pyrazole
CID 2952135
N-(2-(4-(4-fluorophenyl)-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl)-2-oxoethyl)-N-isobutylfuran-2-carboxamide
CID 4239464
2-(2-Fluorophenoxy)-1-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone
CID 16300130
2-[2-[3-(Furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethoxy]benzonitrile
CID 16323457

Frequently Asked Questions

What is the IUPAC name of [3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-(furan-2-yl)methanone?
The IUPAC name of [3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-(furan-2-yl)methanone (CID 2952032) is [3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-(furan-2-yl)methanone.
What is the SMILES notation for [3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-(furan-2-yl)methanone?
The canonical SMILES for [3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-(furan-2-yl)methanone is O=C(c1ccco1)N1N=C(c2cccs2)CC1c1ccc(F)cc1.
What is the InChIKey of [3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-(furan-2-yl)methanone?
The InChIKey is SEMMPMQLMKQBQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN2O2S/c19-13-7-5-12(6-8-13)15-11-14(17-4-2-10-24-17)20-21(15)18(22)16-3-1-9-23-16/h1-10,15H,11H2.
What are the key properties of [3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-(furan-2-yl)methanone?
[3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-(furan-2-yl)methanone has a molecular weight of 340.38 g/mol, XLogP of 4.47, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-(furan-2-yl)methanone is sourced from PubChem (CID 2952032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).