2-(diethylamino)-1-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone

C17H21N3O2S — CID 11841123

IUPAC2-(diethylamino)-1-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone
SMILESCCN(CC)CC(=O)N1N=C(c2cccs2)CC1c1ccco1
InChIInChI=1S/C17H21N3O2S/c1-3-19(4-2)12-17(21)20-14(15-7-5-9-22-15)11-13(18-20)16-8-6-10-23-16/h5-10,14H,3-4,11-12H2,1-2H3
InChIKeyMIVUGKLYPJHLAB-UHFFFAOYSA-N
MW331.44 g/mol
LogP3.36
Rot. Bonds6

About 2-(diethylamino)-1-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone

2-(diethylamino)-1-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone (PubChem CID 11841123) has the molecular formula C17H21N3O2S and a molecular weight of 331.44 g/mol. Its IUPAC name is 2-(diethylamino)-1-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone.

Molecular Properties

Compound Name2-(diethylamino)-1-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone
PubChem CID11841123
Molecular FormulaC17H21N3O2S
Molecular Weight331.44 g/mol
Exact Mass331.14
IUPAC Name2-(diethylamino)-1-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone
SMILESCCN(CC)CC(=O)N1N=C(c2cccs2)CC1c1ccco1
InChIInChI=1S/C17H21N3O2S/c1-3-19(4-2)12-17(21)20-14(15-7-5-9-22-15)11-13(18-20)16-8-6-10-23-16/h5-10,14H,3-4,11-12H2,1-2H3
InChIKeyMIVUGKLYPJHLAB-UHFFFAOYSA-N
XLogP3.36
TPSA49.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-1-[3-(furan-2-yl)-5-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-one
CID 4961662
2-Chloro-1-(5-furan-2-yl-3-thiophen-2-yl-4,5-dihydro-pyrazol-1-yl)-ethanone
CID 3162837
5-(furan-2-yl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazole-1-carbothioamide
CID 3304967
3-(2-Furanyl)-2-methylsulfonyl-5-thiophen-2-yl-3,4-dihydropyrazole
CID 2953454
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]thiophene-2-carboxamide
CID 4884562
3-hydroxy-5-(5-methyl-2-furyl)-1-[2-(4-morpholinyl)ethyl]-4-(2-thienylcarbonyl)-1,5-dihydro-2H-pyrrol-2-one
CID 2909894
Furan-2-yl-[3-(5-methylfuran-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]methanone
CID 2987949
1-[2-(diethylamino)ethyl]-3-hydroxy-5-(5-methyl-2-furyl)-4-(2-thienylcarbonyl)-1,5-dihydro-2H-pyrrol-2-one
CID 2926212
1-{2-[5-(2-furyl)-3-(2-thienyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-4-methylpiperazine
CID 11841124
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
2-(2-Chlorophenoxy)-1-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone
CID 16324602

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-1-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone?
The IUPAC name of 2-(diethylamino)-1-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone (CID 11841123) is 2-(diethylamino)-1-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone.
What is the SMILES notation for 2-(diethylamino)-1-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone?
The canonical SMILES for 2-(diethylamino)-1-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone is CCN(CC)CC(=O)N1N=C(c2cccs2)CC1c1ccco1.
What is the InChIKey of 2-(diethylamino)-1-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone?
The InChIKey is MIVUGKLYPJHLAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2S/c1-3-19(4-2)12-17(21)20-14(15-7-5-9-22-15)11-13(18-20)16-8-6-10-23-16/h5-10,14H,3-4,11-12H2,1-2H3.
What are the key properties of 2-(diethylamino)-1-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone?
2-(diethylamino)-1-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone has a molecular weight of 331.44 g/mol, XLogP of 3.36, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-1-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone is sourced from PubChem (CID 11841123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).