N-(2-butylpyrazol-3-yl)-2,3-dihydro-1-benzothiophene-2-carboxamide

C16H19N3OS — CID 47029868

IUPACN-(2-butylpyrazol-3-yl)-2,3-dihydro-1-benzothiophene-2-carboxamide
SMILESCCCCn1nccc1NC(=O)C1Cc2ccccc2S1
InChIInChI=1S/C16H19N3OS/c1-2-3-10-19-15(8-9-17-19)18-16(20)14-11-12-6-4-5-7-13(12)21-14/h4-9,14H,2-3,10-11H2,1H3,(H,18,20)
InChIKeyFWISOLLIJJIYJJ-UHFFFAOYSA-N
MW301.41 g/mol
LogP3.34
Rot. Bonds5

About N-(2-butylpyrazol-3-yl)-2,3-dihydro-1-benzothiophene-2-carboxamide

N-(2-butylpyrazol-3-yl)-2,3-dihydro-1-benzothiophene-2-carboxamide (PubChem CID 47029868) has the molecular formula C16H19N3OS and a molecular weight of 301.41 g/mol. Its IUPAC name is N-(2-butylpyrazol-3-yl)-2,3-dihydro-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-butylpyrazol-3-yl)-2,3-dihydro-1-benzothiophene-2-carboxamide
PubChem CID47029868
Molecular FormulaC16H19N3OS
Molecular Weight301.41 g/mol
Exact Mass301.12
IUPAC NameN-(2-butylpyrazol-3-yl)-2,3-dihydro-1-benzothiophene-2-carboxamide
SMILESCCCCn1nccc1NC(=O)C1Cc2ccccc2S1
InChIInChI=1S/C16H19N3OS/c1-2-3-10-19-15(8-9-17-19)18-16(20)14-11-12-6-4-5-7-13(12)21-14/h4-9,14H,2-3,10-11H2,1H3,(H,18,20)
InChIKeyFWISOLLIJJIYJJ-UHFFFAOYSA-N
XLogP3.34
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-butylpyrazol-3-yl)piperidine-4-carboxamide
CID 119286988
N-propyl-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 42931099
N-(2-butylpyrazol-3-yl)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55674367
(2R)-N-[1-(2-hydroxyethyl)pyrazol-4-yl]-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 94798405
(2S)-N-(1-methylpyrazol-3-yl)-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 94794619
N-(2-butylpyrazol-3-yl)-2-chloroacetamide
CID 50987917
N-(2-butylpyrazol-3-yl)piperidine-3-carboxamide
CID 119286994
N-(2-butylpyrazol-3-yl)-2-phenylsulfanylacetamide
CID 47182837
1-butyl-3-(2-butylpyrazol-3-yl)urea
CID 47420496
(2R)-N-(2-hydroxyphenyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 51489865
N-(2-butylpyrazol-3-yl)-4-methylsulfanylbenzamide
CID 78864779
methyl 2-(2,3-dihydro-1-benzothiophene-2-carbonylamino)-1,3-thiazole-5-carboxylate
CID 18139260

Frequently Asked Questions

What is the IUPAC name of N-(2-butylpyrazol-3-yl)-2,3-dihydro-1-benzothiophene-2-carboxamide?
The IUPAC name of N-(2-butylpyrazol-3-yl)-2,3-dihydro-1-benzothiophene-2-carboxamide (CID 47029868) is N-(2-butylpyrazol-3-yl)-2,3-dihydro-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-(2-butylpyrazol-3-yl)-2,3-dihydro-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-(2-butylpyrazol-3-yl)-2,3-dihydro-1-benzothiophene-2-carboxamide is CCCCn1nccc1NC(=O)C1Cc2ccccc2S1.
What is the InChIKey of N-(2-butylpyrazol-3-yl)-2,3-dihydro-1-benzothiophene-2-carboxamide?
The InChIKey is FWISOLLIJJIYJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3OS/c1-2-3-10-19-15(8-9-17-19)18-16(20)14-11-12-6-4-5-7-13(12)21-14/h4-9,14H,2-3,10-11H2,1H3,(H,18,20).
What are the key properties of N-(2-butylpyrazol-3-yl)-2,3-dihydro-1-benzothiophene-2-carboxamide?
N-(2-butylpyrazol-3-yl)-2,3-dihydro-1-benzothiophene-2-carboxamide has a molecular weight of 301.41 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butylpyrazol-3-yl)-2,3-dihydro-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 47029868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).