4-fluoro-N-(3-pyrazol-1-ylpropyl)-1-benzothiophene-2-carboxamide

C15H14FN3OS — CID 37394280

IUPAC4-fluoro-N-(3-pyrazol-1-ylpropyl)-1-benzothiophene-2-carboxamide
SMILESO=C(NCCCn1cccn1)c1cc2c(F)cccc2s1
InChIInChI=1S/C15H14FN3OS/c16-12-4-1-5-13-11(12)10-14(21-13)15(20)17-6-2-8-19-9-3-7-18-19/h1,3-5,7,9-10H,2,6,8H2,(H,17,20)
InChIKeyXTADFYWFJJZHAY-UHFFFAOYSA-N
MW303.36 g/mol
LogP3.06
Rot. Bonds5

About 4-fluoro-N-(3-pyrazol-1-ylpropyl)-1-benzothiophene-2-carboxamide

4-fluoro-N-(3-pyrazol-1-ylpropyl)-1-benzothiophene-2-carboxamide (PubChem CID 37394280) has the molecular formula C15H14FN3OS and a molecular weight of 303.36 g/mol. Its IUPAC name is 4-fluoro-N-(3-pyrazol-1-ylpropyl)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name4-fluoro-N-(3-pyrazol-1-ylpropyl)-1-benzothiophene-2-carboxamide
PubChem CID37394280
Molecular FormulaC15H14FN3OS
Molecular Weight303.36 g/mol
Exact Mass303.08
IUPAC Name4-fluoro-N-(3-pyrazol-1-ylpropyl)-1-benzothiophene-2-carboxamide
SMILESO=C(NCCCn1cccn1)c1cc2c(F)cccc2s1
InChIInChI=1S/C15H14FN3OS/c16-12-4-1-5-13-11(12)10-14(21-13)15(20)17-6-2-8-19-9-3-7-18-19/h1,3-5,7,9-10H,2,6,8H2,(H,17,20)
InChIKeyXTADFYWFJJZHAY-UHFFFAOYSA-N
XLogP3.06
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 53.06
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

3-methyl-1-phenyl-N-(3-pyrazol-1-ylpropyl)thieno[3,2-d]pyrazole-5-carboxamide
CID 37394030
4-bromo-2,6-difluoro-N-(3-pyrazol-1-ylpropyl)benzamide
CID 115686657
4-fluoro-N-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propyl]-1-benzothiophene-2-carboxamide
CID 46427172
2-bromo-5-fluoro-N-(3-pyrazol-1-ylpropyl)benzamide
CID 37393425
4-[(4-fluoro-1-benzothiophene-2-carbonyl)amino]-2-hydroxybutanoic acid
CID 107832289
3-methyl-N-(3-pyrazol-1-ylpropyl)benzamide
CID 19332230
N-(3-pyrazol-1-ylpropyl)pyridine-4-carboxamide
CID 35285072
3-fluoro-4-methoxy-N-(3-pyrazol-1-ylpropyl)benzamide
CID 37393720
4-fluoro-N-[2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]-1-benzothiophene-2-carboxamide
CID 55545508
3-[(4-fluoro-1-benzothiophene-2-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 66172399
N-(3-pyrazol-1-ylpropyl)-5-[(2,3,5,6-tetrafluorophenoxy)methyl]furan-2-carboxamide
CID 19332332
3-(2-chloro-6-fluorophenyl)-5-methyl-N-(3-pyrazol-1-ylpropyl)-1,2-oxazole-4-carboxamide
CID 37392691

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(3-pyrazol-1-ylpropyl)-1-benzothiophene-2-carboxamide?
The IUPAC name of 4-fluoro-N-(3-pyrazol-1-ylpropyl)-1-benzothiophene-2-carboxamide (CID 37394280) is 4-fluoro-N-(3-pyrazol-1-ylpropyl)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 4-fluoro-N-(3-pyrazol-1-ylpropyl)-1-benzothiophene-2-carboxamide?
The canonical SMILES for 4-fluoro-N-(3-pyrazol-1-ylpropyl)-1-benzothiophene-2-carboxamide is O=C(NCCCn1cccn1)c1cc2c(F)cccc2s1.
What is the InChIKey of 4-fluoro-N-(3-pyrazol-1-ylpropyl)-1-benzothiophene-2-carboxamide?
The InChIKey is XTADFYWFJJZHAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3OS/c16-12-4-1-5-13-11(12)10-14(21-13)15(20)17-6-2-8-19-9-3-7-18-19/h1,3-5,7,9-10H,2,6,8H2,(H,17,20).
What are the key properties of 4-fluoro-N-(3-pyrazol-1-ylpropyl)-1-benzothiophene-2-carboxamide?
4-fluoro-N-(3-pyrazol-1-ylpropyl)-1-benzothiophene-2-carboxamide has a molecular weight of 303.36 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(3-pyrazol-1-ylpropyl)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 37394280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).