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

C14H12N2OS — CID 114964476

IUPAC1-benzothiophen-3-yl-(1-ethylpyrazol-4-yl)methanone
SMILESCCn1cc(C(=O)c2csc3ccccc23)cn1
InChIInChI=1S/C14H12N2OS/c1-2-16-8-10(7-15-16)14(17)12-9-18-13-6-4-3-5-11(12)13/h3-9H,2H2,1H3
InChIKeyNQHFVEJNFDBOOH-UHFFFAOYSA-N
MW256.33 g/mol
LogP3.35
Rot. Bonds3

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

1-benzothiophen-3-yl-(1-ethylpyrazol-4-yl)methanone (PubChem CID 114964476) has the molecular formula C14H12N2OS and a molecular weight of 256.33 g/mol. Its IUPAC name is 1-benzothiophen-3-yl-(1-ethylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name1-benzothiophen-3-yl-(1-ethylpyrazol-4-yl)methanone
PubChem CID114964476
Molecular FormulaC14H12N2OS
Molecular Weight256.33 g/mol
Exact Mass256.07
IUPAC Name1-benzothiophen-3-yl-(1-ethylpyrazol-4-yl)methanone
SMILESCCn1cc(C(=O)c2csc3ccccc23)cn1
InChIInChI=1S/C14H12N2OS/c1-2-16-8-10(7-15-16)14(17)12-9-18-13-6-4-3-5-11(12)13/h3-9H,2H2,1H3
InChIKeyNQHFVEJNFDBOOH-UHFFFAOYSA-N
XLogP3.35
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzothiophen-3-yl-(1-propylpyrazol-4-yl)methanone
CID 114963887
(1-ethylpyrazol-4-yl)-(2-methylquinolin-4-yl)methanone
CID 105083333
1-(1-benzothiophen-3-ylmethyl)pyrazole-4-carboxylic acid
CID 63737907
(1-ethylpyrazol-4-yl)-(2,3,4-trimethoxyphenyl)methanone
CID 114964370
1-(1-benzothiophen-3-yl)-2-(1-ethylpyrazol-4-yl)ethanol
CID 63893599
1-benzothiophen-3-yl-(3,5-dibromophenyl)methanone
CID 114023487
1-(1-ethylpyrazol-4-yl)ethanone
CID 4912928
naphthalen-1-yl-(1-propylpyrazol-4-yl)methanone
CID 62717590
(5-bromothiophen-3-yl)-(1-ethylpyrazol-4-yl)methanone
CID 105083231
(1-ethylpyrazol-4-yl)-(2,3,4-trifluorophenyl)methanone
CID 114964425
1-benzothiophen-3-yl-(4-methoxy-1-propylpyrazol-5-yl)methanone
CID 115811046
(1-ethylpyrazol-4-yl)-(3-fluorothiophen-2-yl)methanone
CID 130594522

Frequently Asked Questions

What is the IUPAC name of 1-benzothiophen-3-yl-(1-ethylpyrazol-4-yl)methanone?
The IUPAC name of 1-benzothiophen-3-yl-(1-ethylpyrazol-4-yl)methanone (CID 114964476) is 1-benzothiophen-3-yl-(1-ethylpyrazol-4-yl)methanone.
What is the SMILES notation for 1-benzothiophen-3-yl-(1-ethylpyrazol-4-yl)methanone?
The canonical SMILES for 1-benzothiophen-3-yl-(1-ethylpyrazol-4-yl)methanone is CCn1cc(C(=O)c2csc3ccccc23)cn1.
What is the InChIKey of 1-benzothiophen-3-yl-(1-ethylpyrazol-4-yl)methanone?
The InChIKey is NQHFVEJNFDBOOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2OS/c1-2-16-8-10(7-15-16)14(17)12-9-18-13-6-4-3-5-11(12)13/h3-9H,2H2,1H3.
What are the key properties of 1-benzothiophen-3-yl-(1-ethylpyrazol-4-yl)methanone?
1-benzothiophen-3-yl-(1-ethylpyrazol-4-yl)methanone has a molecular weight of 256.33 g/mol, XLogP of 3.35, 3 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-ethylpyrazol-4-yl)methanone is sourced from PubChem (CID 114964476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).