N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2,3-dihydro-1-benzothiophene-2-carboxamide

C20H19N3O2S — CID 24592354

IUPACN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2,3-dihydro-1-benzothiophene-2-carboxamide
SMILESCc1c(NC(=O)C2Cc3ccccc3S2)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C20H19N3O2S/c1-13-18(20(25)23(22(13)2)15-9-4-3-5-10-15)21-19(24)17-12-14-8-6-7-11-16(14)26-17/h3-11,17H,12H2,1-2H3,(H,21,24)
InChIKeyCYRVECRRYHZAJV-UHFFFAOYSA-N
MW365.46 g/mol
LogP3.14
Rot. Bonds3

About N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2,3-dihydro-1-benzothiophene-2-carboxamide

N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2,3-dihydro-1-benzothiophene-2-carboxamide (PubChem CID 24592354) has the molecular formula C20H19N3O2S and a molecular weight of 365.46 g/mol. Its IUPAC name is N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2,3-dihydro-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2,3-dihydro-1-benzothiophene-2-carboxamide
PubChem CID24592354
Molecular FormulaC20H19N3O2S
Molecular Weight365.46 g/mol
Exact Mass365.12
IUPAC NameN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2,3-dihydro-1-benzothiophene-2-carboxamide
SMILESCc1c(NC(=O)C2Cc3ccccc3S2)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C20H19N3O2S/c1-13-18(20(25)23(22(13)2)15-9-4-3-5-10-15)21-19(24)17-12-14-8-6-7-11-16(14)26-17/h3-11,17H,12H2,1-2H3,(H,21,24)
InChIKeyCYRVECRRYHZAJV-UHFFFAOYSA-N
XLogP3.14
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 23860913
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CID 1008555
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)piperidine-4-carboxamide
CID 119261452
(2S)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)piperidine-2-carboxamide
CID 119669112
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(1-methylpiperidin-4-yl)acetamide
CID 99969735
6-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamoyl]cyclohex-3-ene-1-carboxylate
CID 3548398
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-oxopiperidine-3-carboxamide
CID 664928
(1R,2S,3S,4S)-3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 1279767
2-(2,3-dihydroindol-1-yl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide
CID 22199899
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzamide
CID 21924
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)but-2-enamide
CID 75611382
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1,1-dioxothiolane-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2,3-dihydro-1-benzothiophene-2-carboxamide?
The IUPAC name of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2,3-dihydro-1-benzothiophene-2-carboxamide (CID 24592354) is N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2,3-dihydro-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2,3-dihydro-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2,3-dihydro-1-benzothiophene-2-carboxamide is Cc1c(NC(=O)C2Cc3ccccc3S2)c(=O)n(-c2ccccc2)n1C.
What is the InChIKey of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2,3-dihydro-1-benzothiophene-2-carboxamide?
The InChIKey is CYRVECRRYHZAJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2S/c1-13-18(20(25)23(22(13)2)15-9-4-3-5-10-15)21-19(24)17-12-14-8-6-7-11-16(14)26-17/h3-11,17H,12H2,1-2H3,(H,21,24).
What are the key properties of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2,3-dihydro-1-benzothiophene-2-carboxamide?
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2,3-dihydro-1-benzothiophene-2-carboxamide has a molecular weight of 365.46 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2,3-dihydro-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 24592354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).