1-benzothiophen-3-yl-(1-propylpyrazol-4-yl)methanone

C15H14N2OS — CID 114963887

IUPAC1-benzothiophen-3-yl-(1-propylpyrazol-4-yl)methanone
SMILESCCCn1cc(C(=O)c2csc3ccccc23)cn1
InChIInChI=1S/C15H14N2OS/c1-2-7-17-9-11(8-16-17)15(18)13-10-19-14-6-4-3-5-12(13)14/h3-6,8-10H,2,7H2,1H3
InChIKeyAFEYQJRUKAVMJA-UHFFFAOYSA-N
MW270.36 g/mol
LogP3.74
Rot. Bonds4

About 1-benzothiophen-3-yl-(1-propylpyrazol-4-yl)methanone

1-benzothiophen-3-yl-(1-propylpyrazol-4-yl)methanone (PubChem CID 114963887) has the molecular formula C15H14N2OS and a molecular weight of 270.36 g/mol. Its IUPAC name is 1-benzothiophen-3-yl-(1-propylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name1-benzothiophen-3-yl-(1-propylpyrazol-4-yl)methanone
PubChem CID114963887
Molecular FormulaC15H14N2OS
Molecular Weight270.36 g/mol
Exact Mass270.08
IUPAC Name1-benzothiophen-3-yl-(1-propylpyrazol-4-yl)methanone
SMILESCCCn1cc(C(=O)c2csc3ccccc23)cn1
InChIInChI=1S/C15H14N2OS/c1-2-7-17-9-11(8-16-17)15(18)13-10-19-14-6-4-3-5-12(13)14/h3-6,8-10H,2,7H2,1H3
InChIKeyAFEYQJRUKAVMJA-UHFFFAOYSA-N
XLogP3.74
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzothiophen-3-yl-(1-ethylpyrazol-4-yl)methanone
CID 114964476
naphthalen-1-yl-(1-propylpyrazol-4-yl)methanone
CID 62717590
1-benzothiophen-3-yl-(4-methoxy-1-propylpyrazol-5-yl)methanone
CID 115811046
(3-chlorothiophen-2-yl)-(1-propylpyrazol-4-yl)methanone
CID 114963805
(5-iodothiophen-3-yl)-(1-propylpyrazol-4-yl)methanone
CID 114963905
2-(1-benzothiophen-3-yl)-1-(1-propylpyrazol-4-yl)ethanol
CID 103572658
(3-methylthiophen-2-yl)-(1-propylpyrazol-4-yl)methanone
CID 114963774
naphthalen-2-yl-(1-propylpyrazol-4-yl)methanone
CID 62715712
1-(1-benzothiophen-3-ylmethyl)pyrazole-4-carboxylic acid
CID 63737907
(2-bromo-4-methylphenyl)-(1-propylpyrazol-4-yl)methanone
CID 114963862
(1-propylpyrazol-4-yl)-quinolin-2-ylmethanone
CID 63222879
(5-chloro-2-methoxyphenyl)-(1-propylpyrazol-4-yl)methanone
CID 114963832

Frequently Asked Questions

What is the IUPAC name of 1-benzothiophen-3-yl-(1-propylpyrazol-4-yl)methanone?
The IUPAC name of 1-benzothiophen-3-yl-(1-propylpyrazol-4-yl)methanone (CID 114963887) is 1-benzothiophen-3-yl-(1-propylpyrazol-4-yl)methanone.
What is the SMILES notation for 1-benzothiophen-3-yl-(1-propylpyrazol-4-yl)methanone?
The canonical SMILES for 1-benzothiophen-3-yl-(1-propylpyrazol-4-yl)methanone is CCCn1cc(C(=O)c2csc3ccccc23)cn1.
What is the InChIKey of 1-benzothiophen-3-yl-(1-propylpyrazol-4-yl)methanone?
The InChIKey is AFEYQJRUKAVMJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2OS/c1-2-7-17-9-11(8-16-17)15(18)13-10-19-14-6-4-3-5-12(13)14/h3-6,8-10H,2,7H2,1H3.
What are the key properties of 1-benzothiophen-3-yl-(1-propylpyrazol-4-yl)methanone?
1-benzothiophen-3-yl-(1-propylpyrazol-4-yl)methanone has a molecular weight of 270.36 g/mol, XLogP of 3.74, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzothiophen-3-yl-(1-propylpyrazol-4-yl)methanone is sourced from PubChem (CID 114963887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).