1-benzothiophen-3-yl(pyrazol-1-yl)methanone

C12H8N2OS — CID 841465

IUPAC1-benzothiophen-3-yl(pyrazol-1-yl)methanone
SMILESO=C(c1csc2ccccc12)n1cccn1
InChIInChI=1S/C12H8N2OS/c15-12(14-7-3-6-13-14)10-8-16-11-5-2-1-4-9(10)11/h1-8H
InChIKeyPMDFFILEMKLIDC-UHFFFAOYSA-N
MW228.28 g/mol
LogP2.79
Rot. Bonds1

About 1-benzothiophen-3-yl(pyrazol-1-yl)methanone

1-benzothiophen-3-yl(pyrazol-1-yl)methanone (PubChem CID 841465) has the molecular formula C12H8N2OS and a molecular weight of 228.28 g/mol. Its IUPAC name is 1-benzothiophen-3-yl(pyrazol-1-yl)methanone.

Molecular Properties

Compound Name1-benzothiophen-3-yl(pyrazol-1-yl)methanone
PubChem CID841465
Molecular FormulaC12H8N2OS
Molecular Weight228.28 g/mol
Exact Mass228.04
IUPAC Name1-benzothiophen-3-yl(pyrazol-1-yl)methanone
SMILESO=C(c1csc2ccccc12)n1cccn1
InChIInChI=1S/C12H8N2OS/c15-12(14-7-3-6-13-14)10-8-16-11-5-2-1-4-9(10)11/h1-8H
InChIKeyPMDFFILEMKLIDC-UHFFFAOYSA-N
XLogP2.79
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.28
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzothiophen-3-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 2932774
1-benzothiophen-3-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone;hydrochloride
CID 2933523
1-(1-benzothiophene-3-carbonyl)-1,4-diazepan-5-one
CID 55153408
S-methyl 1-benzothiophene-3-carbothioate
CID 119090486
2-amino-1-(1-benzothiophen-3-yl)-2-methylpropan-1-one
CID 23618738
1-benzothiophen-3-yl-[4-(2-bromoethyl)piperazin-1-yl]methanone
CID 80661319
1-benzothiophen-3-yl-[4-(3,4-dichlorophenyl)piperazin-1-yl]methanone
CID 1223722
1-benzothiophen-3-yl-(2-bromophenyl)methanone
CID 43161888
N-[3-(2-methyltriazol-4-yl)propyl]-1-benzothiophene-3-carboxamide
CID 122136233
azepan-1-yl-[1-(1-benzothiophene-3-carbonyl)piperidin-4-yl]methanone
CID 24643105
1-benzothiophen-3-yl-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 17191275
1-benzothiophen-3-yl-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 25236632

Frequently Asked Questions

What is the IUPAC name of 1-benzothiophen-3-yl(pyrazol-1-yl)methanone?
The IUPAC name of 1-benzothiophen-3-yl(pyrazol-1-yl)methanone (CID 841465) is 1-benzothiophen-3-yl(pyrazol-1-yl)methanone.
What is the SMILES notation for 1-benzothiophen-3-yl(pyrazol-1-yl)methanone?
The canonical SMILES for 1-benzothiophen-3-yl(pyrazol-1-yl)methanone is O=C(c1csc2ccccc12)n1cccn1.
What is the InChIKey of 1-benzothiophen-3-yl(pyrazol-1-yl)methanone?
The InChIKey is PMDFFILEMKLIDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2OS/c15-12(14-7-3-6-13-14)10-8-16-11-5-2-1-4-9(10)11/h1-8H.
What are the key properties of 1-benzothiophen-3-yl(pyrazol-1-yl)methanone?
1-benzothiophen-3-yl(pyrazol-1-yl)methanone has a molecular weight of 228.28 g/mol, XLogP of 2.79, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzothiophen-3-yl(pyrazol-1-yl)methanone is sourced from PubChem (CID 841465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).