N-(5-ethyl-1H-pyrazol-3-yl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

C15H19N3OS — CID 115593726

IUPACN-(5-ethyl-1H-pyrazol-3-yl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
SMILESCCc1cc(NC(=O)c2csc3c2CCC(C)C3)n[nH]1
InChIInChI=1S/C15H19N3OS/c1-3-10-7-14(18-17-10)16-15(19)12-8-20-13-6-9(2)4-5-11(12)13/h7-9H,3-6H2,1-2H3,(H2,16,17,18,19)
InChIKeyNJPNFIRLXXQKSO-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.41
Rot. Bonds3

About N-(5-ethyl-1H-pyrazol-3-yl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

N-(5-ethyl-1H-pyrazol-3-yl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide (PubChem CID 115593726) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is N-(5-ethyl-1H-pyrazol-3-yl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.

Molecular Properties

Compound NameN-(5-ethyl-1H-pyrazol-3-yl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
PubChem CID115593726
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC NameN-(5-ethyl-1H-pyrazol-3-yl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
SMILESCCc1cc(NC(=O)c2csc3c2CCC(C)C3)n[nH]1
InChIInChI=1S/C15H19N3OS/c1-3-10-7-14(18-17-10)16-15(19)12-8-20-13-6-9(2)4-5-11(12)13/h7-9H,3-6H2,1-2H3,(H2,16,17,18,19)
InChIKeyNJPNFIRLXXQKSO-UHFFFAOYSA-N
XLogP3.41
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(5-ethyl-1H-pyrazol-3-yl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide with MolForge

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Related Compounds

(6R)-6-methyl-N-pyridin-4-yl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 27233307
6-methyl-N-(2,4,6-trimethylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 20881803
N-(3-fluorophenyl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 2960348
6-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 3413217
6-methyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 5219360
(6S)-N-(2-ethoxyphenyl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 946512
(6R)-N-(3-acetylphenyl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 2146391
5-ethyl-N-(5-ethyl-1H-pyrazol-3-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 115593720
N-(2-amino-2-methylpropyl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide;hydrochloride
CID 119629587
(6S)-6-methyl-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 51943285
2-[3-methyl-4-[(6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)amino]phenoxy]acetic acid
CID 119231835
(2R)-3,3-dimethyl-2-[(6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)amino]butanoic acid
CID 103926498

Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1H-pyrazol-3-yl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The IUPAC name of N-(5-ethyl-1H-pyrazol-3-yl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide (CID 115593726) is N-(5-ethyl-1H-pyrazol-3-yl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.
What is the SMILES notation for N-(5-ethyl-1H-pyrazol-3-yl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The canonical SMILES for N-(5-ethyl-1H-pyrazol-3-yl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is CCc1cc(NC(=O)c2csc3c2CCC(C)C3)n[nH]1.
What is the InChIKey of N-(5-ethyl-1H-pyrazol-3-yl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The InChIKey is NJPNFIRLXXQKSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-3-10-7-14(18-17-10)16-15(19)12-8-20-13-6-9(2)4-5-11(12)13/h7-9H,3-6H2,1-2H3,(H2,16,17,18,19).
What are the key properties of N-(5-ethyl-1H-pyrazol-3-yl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
N-(5-ethyl-1H-pyrazol-3-yl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide has a molecular weight of 289.40 g/mol, XLogP of 3.41, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-1H-pyrazol-3-yl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is sourced from PubChem (CID 115593726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).