5-methyl-N-(1-methylpyrazol-4-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide

C14H17N3OS — CID 43074247

IUPAC5-methyl-N-(1-methylpyrazol-4-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
SMILESCC1CCc2sc(C(=O)Nc3cnn(C)c3)cc2C1
InChIInChI=1S/C14H17N3OS/c1-9-3-4-12-10(5-9)6-13(19-12)14(18)16-11-7-15-17(2)8-11/h6-9H,3-5H2,1-2H3,(H,16,18)
InChIKeyMMYMWEGCLVKJIC-UHFFFAOYSA-N
MW275.38 g/mol
LogP2.86
Rot. Bonds2

About 5-methyl-N-(1-methylpyrazol-4-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide

5-methyl-N-(1-methylpyrazol-4-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide (PubChem CID 43074247) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is 5-methyl-N-(1-methylpyrazol-4-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(1-methylpyrazol-4-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
PubChem CID43074247
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC Name5-methyl-N-(1-methylpyrazol-4-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
SMILESCC1CCc2sc(C(=O)Nc3cnn(C)c3)cc2C1
InChIInChI=1S/C14H17N3OS/c1-9-3-4-12-10(5-9)6-13(19-12)14(18)16-11-7-15-17(2)8-11/h6-9H,3-5H2,1-2H3,(H,16,18)
InChIKeyMMYMWEGCLVKJIC-UHFFFAOYSA-N
XLogP2.86
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-((1S,2R)-2-(cyclobutylamino)cyclopropyl)-5-methyl-N-(1-methyl-1H-pyrazol-4-yl)thiophene-2-carboxamide
CID 118432730
4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]-5-methyl-N-(1-methylpyrazol-4-yl)thiophene-2-carboxamide
CID 118432772
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
1-(4,5,6,7-tetrahydro-1-benzothien-3-ylcarbonyl)-1H-pyrazole
CID 1245419
N-(2-pyrazol-1-ylphenyl)dibenzothiophene-4-carboxamide
CID 11710429
N-(1-methyl-1H-pyrazol-4-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 19615665
4-[(1R,2S)-2-(cyclobutylamino)cyclopropyl]-N-(1-methylpyrazol-4-yl)thiophene-2-carboxamide
CID 118432690
4-[(1S,2R)-2-(cyclobutylamino)cyclopropyl]-N-(1-methylpyrazol-4-yl)thiophene-2-carboxamide
CID 118432712
4-[2-(cyclobutylamino)cyclopropyl]-5-methyl-N-(1-methylpyrazol-4-yl)thiophene-2-carboxamide
CID 118432727
4-(trans-2-(cyclobutylamino)-cyclopropyl)-N-(1-methyl-1H-pyrazol-4-yl)thiophene-2-carboxamide
CID 118432752
5-[2-(cyclobutylamino)cyclopropyl]-N-(1-methylpyrazol-4-yl)thiophene-3-carboxamide
CID 118432794

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(1-methylpyrazol-4-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide?
The IUPAC name of 5-methyl-N-(1-methylpyrazol-4-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide (CID 43074247) is 5-methyl-N-(1-methylpyrazol-4-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 5-methyl-N-(1-methylpyrazol-4-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide?
The canonical SMILES for 5-methyl-N-(1-methylpyrazol-4-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide is CC1CCc2sc(C(=O)Nc3cnn(C)c3)cc2C1.
What is the InChIKey of 5-methyl-N-(1-methylpyrazol-4-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide?
The InChIKey is MMYMWEGCLVKJIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c1-9-3-4-12-10(5-9)6-13(19-12)14(18)16-11-7-15-17(2)8-11/h6-9H,3-5H2,1-2H3,(H,16,18).
What are the key properties of 5-methyl-N-(1-methylpyrazol-4-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide?
5-methyl-N-(1-methylpyrazol-4-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide has a molecular weight of 275.38 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(1-methylpyrazol-4-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 43074247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).