1-benzoyl-3-(2-furyl)-5-(2-thienyl)-4,5-dihydro-1H-pyrazole

C18H14N2O2S — CID 2952135

IUPAC[5-(furan-2-yl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-phenylmethanone
SMILESC1C(N(N=C1C2=CC=CO2)C(=O)C3=CC=CC=C3)C4=CC=CS4
InChIInChI=1S/C18H14N2O2S/c21-18(13-6-2-1-3-7-13)20-15(17-9-5-11-23-17)12-14(19-20)16-8-4-10-22-16/h1-11,15H,12H2
InChIKeyNXXDDNZTHMUWJN-UHFFFAOYSA-N
MW322.40 g/mol
LogP3.50
Rot. Bonds3

About 1-benzoyl-3-(2-furyl)-5-(2-thienyl)-4,5-dihydro-1H-pyrazole

1-benzoyl-3-(2-furyl)-5-(2-thienyl)-4,5-dihydro-1H-pyrazole (PubChem CID 2952135) has the molecular formula C18H14N2O2S and a molecular weight of 322.40 g/mol. Its IUPAC name is [5-(furan-2-yl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-phenylmethanone.

Molecular Properties

Compound Name1-benzoyl-3-(2-furyl)-5-(2-thienyl)-4,5-dihydro-1H-pyrazole
PubChem CID2952135
Molecular FormulaC18H14N2O2S
Molecular Weight322.40 g/mol
Exact Mass322.08
IUPAC Name[5-(furan-2-yl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-phenylmethanone
SMILESC1C(N(N=C1C2=CC=CO2)C(=O)C3=CC=CC=C3)C4=CC=CS4
InChIInChI=1S/C18H14N2O2S/c21-18(13-6-2-1-3-7-13)20-15(17-9-5-11-23-17)12-14(19-20)16-8-4-10-22-16/h1-11,15H,12H2
InChIKeyNXXDDNZTHMUWJN-UHFFFAOYSA-N
XLogP3.50
TPSA74.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity476

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.40
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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
7-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-5-propan-2-ylthieno[2,3-d]pyridazin-4-one
CID 56662000
7-[4-[3-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]propoxy]phenyl]-5-propan-2-ylthieno[2,3-d]pyridazin-4-one
CID 56668921
7-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-5-propylthieno[2,3-d]pyridazin-4-one
CID 56668922
7-[4-[3-(Diethylamino)propoxy]phenyl]-5-propan-2-ylthieno[2,3-d]pyridazin-4-one
CID 56672398
7-[4-(3-Piperidin-1-ylpropoxy)phenyl]-5-propan-2-ylthieno[2,3-d]pyridazin-4-one
CID 56679098
5-Propan-2-yl-7-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]thieno[2,3-d]pyridazin-4-one
CID 56679099
[3-(4-Methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-thiophen-2-ylmethanone
CID 2871937
5-(4-fluorophenyl)-1-(2-furoyl)-3-(2-thienyl)-4,5-dihydro-1H-pyrazole
CID 2952032
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
5-(2-furyl)-1-propionyl-3-(2-thienyl)-4,5-dihydro-1H-pyrazole
CID 3146328

Frequently Asked Questions

What is the IUPAC name of 1-benzoyl-3-(2-furyl)-5-(2-thienyl)-4,5-dihydro-1H-pyrazole?
The IUPAC name of 1-benzoyl-3-(2-furyl)-5-(2-thienyl)-4,5-dihydro-1H-pyrazole (CID 2952135) is [5-(furan-2-yl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-phenylmethanone.
What is the SMILES notation for 1-benzoyl-3-(2-furyl)-5-(2-thienyl)-4,5-dihydro-1H-pyrazole?
The canonical SMILES for 1-benzoyl-3-(2-furyl)-5-(2-thienyl)-4,5-dihydro-1H-pyrazole is C1C(N(N=C1C2=CC=CO2)C(=O)C3=CC=CC=C3)C4=CC=CS4.
What is the InChIKey of 1-benzoyl-3-(2-furyl)-5-(2-thienyl)-4,5-dihydro-1H-pyrazole?
The InChIKey is NXXDDNZTHMUWJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O2S/c21-18(13-6-2-1-3-7-13)20-15(17-9-5-11-23-17)12-14(19-20)16-8-4-10-22-16/h1-11,15H,12H2.
What are the key properties of 1-benzoyl-3-(2-furyl)-5-(2-thienyl)-4,5-dihydro-1H-pyrazole?
1-benzoyl-3-(2-furyl)-5-(2-thienyl)-4,5-dihydro-1H-pyrazole has a molecular weight of 322.40 g/mol, XLogP of 3.50, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzoyl-3-(2-furyl)-5-(2-thienyl)-4,5-dihydro-1H-pyrazole is sourced from PubChem (CID 2952135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).