N-(2-pyrazol-1-ylphenyl)dibenzothiophene-4-carboxamide

C22H15N3OS — CID 11710429

IUPACN-(2-pyrazol-1-ylphenyl)dibenzothiophene-4-carboxamide
SMILESO=C(Nc1ccccc1-n1cccn1)c1cccc2c1sc1ccccc12
InChIInChI=1S/C22H15N3OS/c26-22(24-18-10-2-3-11-19(18)25-14-6-13-23-25)17-9-5-8-16-15-7-1-4-12-20(15)27-21(16)17/h1-14H,(H,24,26)
InChIKeyQJYZPVFWONIJJL-UHFFFAOYSA-N
MW369.45 g/mol
LogP5.49
Rot. Bonds3

About N-(2-pyrazol-1-ylphenyl)dibenzothiophene-4-carboxamide

N-(2-pyrazol-1-ylphenyl)dibenzothiophene-4-carboxamide (PubChem CID 11710429) has the molecular formula C22H15N3OS and a molecular weight of 369.45 g/mol. Its IUPAC name is N-(2-pyrazol-1-ylphenyl)dibenzothiophene-4-carboxamide.

Molecular Properties

Compound NameN-(2-pyrazol-1-ylphenyl)dibenzothiophene-4-carboxamide
PubChem CID11710429
Molecular FormulaC22H15N3OS
Molecular Weight369.45 g/mol
Exact Mass369.09
IUPAC NameN-(2-pyrazol-1-ylphenyl)dibenzothiophene-4-carboxamide
SMILESO=C(Nc1ccccc1-n1cccn1)c1cccc2c1sc1ccccc12
InChIInChI=1S/C22H15N3OS/c26-22(24-18-10-2-3-11-19(18)25-14-6-13-23-25)17-9-5-8-16-15-7-1-4-12-20(15)27-21(16)17/h1-14H,(H,24,26)
InChIKeyQJYZPVFWONIJJL-UHFFFAOYSA-N
XLogP5.49
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.45
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,2,2-trifluoroacetic acid; 2-(5-carbamimidoyl-1-benzothiophen-3-yl)-3-phenyl-N-{4-[3-(trifluoromethyl)-1H-pyrazol-1-yl]phenyl}propanamide
CID 23646259
N-[3-(1H-pyrazol-1-ylmethyl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 1245434
5,5-dioxo-N-(2-pyrazol-1-ylphenyl)dibenzothiophene-4-carboxamide
CID 46230666
1-(1-benzothien-3-ylcarbonyl)-1H-pyrazole
CID 841465
N-(1-methyl-1H-pyrazol-4-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 19615665
2-[[(E)-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 2346068
5-methyl-N-(1-methylpyrazol-4-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 43074247
5-oxo-N-(2-pyrazol-1-ylphenyl)dibenzothiophene-4-carboxamide
CID 46230617
N-(1-ethylpyrazol-4-yl)-4-fluoro-1-benzothiophene-2-carboxamide
CID 51078650
N-(2-amino-5-thiophen-2-ylphenyl)-3-[1-(1-benzothiophen-2-ylmethyl)triazol-4-yl]benzamide
CID 172447278
N-(2-amino-5-thiophen-2-ylphenyl)-3-[1-(3,4-dimethylphenyl)triazol-4-yl]benzamide
CID 172451802
N-(2-amino-5-thiophen-2-ylphenyl)-4-[1-(1-benzothiophen-2-ylmethyl)triazol-4-yl]benzamide
CID 172466900

Frequently Asked Questions

What is the IUPAC name of N-(2-pyrazol-1-ylphenyl)dibenzothiophene-4-carboxamide?
The IUPAC name of N-(2-pyrazol-1-ylphenyl)dibenzothiophene-4-carboxamide (CID 11710429) is N-(2-pyrazol-1-ylphenyl)dibenzothiophene-4-carboxamide.
What is the SMILES notation for N-(2-pyrazol-1-ylphenyl)dibenzothiophene-4-carboxamide?
The canonical SMILES for N-(2-pyrazol-1-ylphenyl)dibenzothiophene-4-carboxamide is O=C(Nc1ccccc1-n1cccn1)c1cccc2c1sc1ccccc12.
What is the InChIKey of N-(2-pyrazol-1-ylphenyl)dibenzothiophene-4-carboxamide?
The InChIKey is QJYZPVFWONIJJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15N3OS/c26-22(24-18-10-2-3-11-19(18)25-14-6-13-23-25)17-9-5-8-16-15-7-1-4-12-20(15)27-21(16)17/h1-14H,(H,24,26).
What are the key properties of N-(2-pyrazol-1-ylphenyl)dibenzothiophene-4-carboxamide?
N-(2-pyrazol-1-ylphenyl)dibenzothiophene-4-carboxamide has a molecular weight of 369.45 g/mol, XLogP of 5.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyrazol-1-ylphenyl)dibenzothiophene-4-carboxamide is sourced from PubChem (CID 11710429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).