[5-(1-benzothiophen-5-yl)-3,4-dihydropyrazol-2-yl]-(3-fluorophenyl)methanone

C18H13FN2OS — CID 71203531

IUPAC[5-(1-benzothiophen-5-yl)-3,4-dihydropyrazol-2-yl]-(3-fluorophenyl)methanone
SMILESO=C(c1cccc(F)c1)N1CCC(c2ccc3sccc3c2)=N1
InChIInChI=1S/C18H13FN2OS/c19-15-3-1-2-14(11-15)18(22)21-8-6-16(20-21)12-4-5-17-13(10-12)7-9-23-17/h1-5,7,9-11H,6,8H2
InChIKeyMWERQGMVALUENV-UHFFFAOYSA-N
MW324.38 g/mol
LogP4.29
Rot. Bonds2

About [5-(1-benzothiophen-5-yl)-3,4-dihydropyrazol-2-yl]-(3-fluorophenyl)methanone

[5-(1-benzothiophen-5-yl)-3,4-dihydropyrazol-2-yl]-(3-fluorophenyl)methanone (PubChem CID 71203531) has the molecular formula C18H13FN2OS and a molecular weight of 324.38 g/mol. Its IUPAC name is [5-(1-benzothiophen-5-yl)-3,4-dihydropyrazol-2-yl]-(3-fluorophenyl)methanone.

Molecular Properties

Compound Name[5-(1-benzothiophen-5-yl)-3,4-dihydropyrazol-2-yl]-(3-fluorophenyl)methanone
PubChem CID71203531
Molecular FormulaC18H13FN2OS
Molecular Weight324.38 g/mol
Exact Mass324.07
IUPAC Name[5-(1-benzothiophen-5-yl)-3,4-dihydropyrazol-2-yl]-(3-fluorophenyl)methanone
SMILESO=C(c1cccc(F)c1)N1CCC(c2ccc3sccc3c2)=N1
InChIInChI=1S/C18H13FN2OS/c19-15-3-1-2-14(11-15)18(22)21-8-6-16(20-21)12-4-5-17-13(10-12)7-9-23-17/h1-5,7,9-11H,6,8H2
InChIKeyMWERQGMVALUENV-UHFFFAOYSA-N
XLogP4.29
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Phenyl-(5-phenyl-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl)methanone
CID 4322336
4-(4-Methyl-1-oxo[1]benzothieno[2,3-D]pyridazin-2(1H)-YL)-N-{2-[4-(methylsulfanyl)phenyl]ethyl}butanamide
CID 16017195
5-Ethyl-7-thiophen-2-ylthieno[2,3-d]pyridazin-4-one
CID 145961023
(3,5-Diphenyl-3,4-dihydropyrazol-2-yl)-thiophen-2-ylmethanone
CID 2856480
N-benzyl-N-methyl-2-(4-methyl-1-oxo-[1]benzothiolo[2,3-d]pyridazin-2-yl)butanamide
CID 16017041
N-benzyl-4-(4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl)butanamide
CID 16017126
5,7-Diethyl-2-phenylthieno[2,3-d]pyridazin-4-one
CID 145960619
5-Ethyl-7-phenylthieno[2,3-d]pyridazin-4-one
CID 145961509
[3-(4-Fluorophenyl)-5-(2-thienyl)-3,4-dihydropyrazol-2-yl]-phenyl-methanone
CID 11703042
N-(4-fluorobenzyl)-4-(4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl)butanamide
CID 16017168
2-Fluoro-N-{2-oxo-2-[5-phenyl-3-(2-thienyl)-4,5-dihydro-1H-pyrazol-1-YL]ethyl}benzamide
CID 45980422
3-Fluoro-N-{2-oxo-2-[5-phenyl-3-(thiophen-2-YL)-4,5-dihydro-1H-pyrazol-1-YL]ethyl}benzamide
CID 45980423

Frequently Asked Questions

What is the IUPAC name of [5-(1-benzothiophen-5-yl)-3,4-dihydropyrazol-2-yl]-(3-fluorophenyl)methanone?
The IUPAC name of [5-(1-benzothiophen-5-yl)-3,4-dihydropyrazol-2-yl]-(3-fluorophenyl)methanone (CID 71203531) is [5-(1-benzothiophen-5-yl)-3,4-dihydropyrazol-2-yl]-(3-fluorophenyl)methanone.
What is the SMILES notation for [5-(1-benzothiophen-5-yl)-3,4-dihydropyrazol-2-yl]-(3-fluorophenyl)methanone?
The canonical SMILES for [5-(1-benzothiophen-5-yl)-3,4-dihydropyrazol-2-yl]-(3-fluorophenyl)methanone is O=C(c1cccc(F)c1)N1CCC(c2ccc3sccc3c2)=N1.
What is the InChIKey of [5-(1-benzothiophen-5-yl)-3,4-dihydropyrazol-2-yl]-(3-fluorophenyl)methanone?
The InChIKey is MWERQGMVALUENV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN2OS/c19-15-3-1-2-14(11-15)18(22)21-8-6-16(20-21)12-4-5-17-13(10-12)7-9-23-17/h1-5,7,9-11H,6,8H2.
What are the key properties of [5-(1-benzothiophen-5-yl)-3,4-dihydropyrazol-2-yl]-(3-fluorophenyl)methanone?
[5-(1-benzothiophen-5-yl)-3,4-dihydropyrazol-2-yl]-(3-fluorophenyl)methanone has a molecular weight of 324.38 g/mol, XLogP of 4.29, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(1-benzothiophen-5-yl)-3,4-dihydropyrazol-2-yl]-(3-fluorophenyl)methanone is sourced from PubChem (CID 71203531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).