N-(3-pyrazol-1-ylpropyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

C15H19N3OS — CID 37394453

IUPACN-(3-pyrazol-1-ylpropyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
SMILESO=C(NCCCn1cccn1)c1csc2c1CCCC2
InChIInChI=1S/C15H19N3OS/c19-15(16-7-3-9-18-10-4-8-17-18)13-11-20-14-6-2-1-5-12(13)14/h4,8,10-11H,1-3,5-7,9H2,(H,16,19)
InChIKeyWGLYOOZGXAVYSW-UHFFFAOYSA-N
MW289.40 g/mol
LogP2.64
Rot. Bonds5

About N-(3-pyrazol-1-ylpropyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

N-(3-pyrazol-1-ylpropyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide (PubChem CID 37394453) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is N-(3-pyrazol-1-ylpropyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.

Molecular Properties

Compound NameN-(3-pyrazol-1-ylpropyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
PubChem CID37394453
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC NameN-(3-pyrazol-1-ylpropyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
SMILESO=C(NCCCn1cccn1)c1csc2c1CCCC2
InChIInChI=1S/C15H19N3OS/c19-15(16-7-3-9-18-10-4-8-17-18)13-11-20-14-6-2-1-5-12(13)14/h4,8,10-11H,1-3,5-7,9H2,(H,16,19)
InChIKeyWGLYOOZGXAVYSW-UHFFFAOYSA-N
XLogP2.64
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-ethyl-N-[(1-methylpyrazol-4-yl)methyl]thiophene-2-carboxamide
CID 1247202
phenyl[3-(2-thienyl)-1H-pyrazol-1-yl]methanone
CID 2814851
N'-[(1,3-dimethyl-1H-pyrazol-4-yl)methylene]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbohydrazide
CID 5412174
4-ethyl-5-methyl-N-[(1-methyl-1H-pyrazol-4-yl)methyl]-3-thiophenecarboxamide
CID 1245360
N-[3-(1H-pyrazol-1-ylmethyl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 1245434
1-(4,5,6,7-tetrahydro-1-benzothien-2-ylcarbonyl)-1H-pyrazole
CID 1246517
N-[4-(4-fluorophenyl)piperidin-4-yl]-4-(2-methylpyrazol-3-yl)thiophene-2-carboxamide
CID 127049214
1-(1-benzothien-3-ylcarbonyl)-1H-pyrazole
CID 841465
N-[(1-ethylpyrazol-4-yl)methyl]-5-methylthiophene-2-carboxamide
CID 842099
N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 12004854
1-(4,5,6,7-tetrahydro-1-benzothien-3-ylcarbonyl)-1H-pyrazole
CID 1245419
N'-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methylene]-1-benzothiophene-3-carbohydrazide
CID 5412247

Frequently Asked Questions

What is the IUPAC name of N-(3-pyrazol-1-ylpropyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The IUPAC name of N-(3-pyrazol-1-ylpropyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide (CID 37394453) is N-(3-pyrazol-1-ylpropyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.
What is the SMILES notation for N-(3-pyrazol-1-ylpropyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The canonical SMILES for N-(3-pyrazol-1-ylpropyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is O=C(NCCCn1cccn1)c1csc2c1CCCC2.
What is the InChIKey of N-(3-pyrazol-1-ylpropyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The InChIKey is WGLYOOZGXAVYSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c19-15(16-7-3-9-18-10-4-8-17-18)13-11-20-14-6-2-1-5-12(13)14/h4,8,10-11H,1-3,5-7,9H2,(H,16,19).
What are the key properties of N-(3-pyrazol-1-ylpropyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
N-(3-pyrazol-1-ylpropyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide has a molecular weight of 289.40 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-pyrazol-1-ylpropyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is sourced from PubChem (CID 37394453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).