5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(1H-indol-6-yl)thiophene-2-carboxamide

C19H18N4OS — CID 164614300

IUPAC5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(1H-indol-6-yl)thiophene-2-carboxamide
SMILESCc1cc(C)n(Cc2ccc(C(=O)Nc3ccc4cc[nH]c4c3)s2)n1
InChIInChI=1S/C19H18N4OS/c1-12-9-13(2)23(22-12)11-16-5-6-18(25-16)19(24)21-15-4-3-14-7-8-20-17(14)10-15/h3-10,20H,11H2,1-2H3,(H,21,24)
InChIKeyPRFJJGGCIIQYNS-UHFFFAOYSA-N
MW350.45 g/mol
LogP4.34
Rot. Bonds4

About 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(1H-indol-6-yl)thiophene-2-carboxamide

5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(1H-indol-6-yl)thiophene-2-carboxamide (PubChem CID 164614300) has the molecular formula C19H18N4OS and a molecular weight of 350.45 g/mol. Its IUPAC name is 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(1H-indol-6-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(1H-indol-6-yl)thiophene-2-carboxamide
PubChem CID164614300
Molecular FormulaC19H18N4OS
Molecular Weight350.45 g/mol
Exact Mass350.12
IUPAC Name5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(1H-indol-6-yl)thiophene-2-carboxamide
SMILESCc1cc(C)n(Cc2ccc(C(=O)Nc3ccc4cc[nH]c4c3)s2)n1
InChIInChI=1S/C19H18N4OS/c1-12-9-13(2)23(22-12)11-16-5-6-18(25-16)19(24)21-15-4-3-14-7-8-20-17(14)10-15/h3-10,20H,11H2,1-2H3,(H,21,24)
InChIKeyPRFJJGGCIIQYNS-UHFFFAOYSA-N
XLogP4.34
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.45
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N'-[(5-ethyl-2-thienyl)methylene]-1H-indole-3-carbohydrazide
CID 5342196
N-[2-(1H-indol-3-yl)ethyl]-5-methylthiophene-2-carboxamide
CID 2571989
N'-[(1E)-1-(5-methylthiophen-2-yl)ethylidene]-1H-indole-3-carbohydrazide
CID 5336353
N'-[(1E)-1-(5-ethylthiophen-2-yl)ethylidene]-1H-indole-3-carbohydrazide
CID 9567055
N-[2-(1H-indol-3-yl)ethyl]-3-methylthiophene-2-carboxamide
CID 17453466
3-methyl-1-(2-methylphenyl)-N-(pyridin-3-ylmethyl)thieno[2,3-c]pyrazole-5-carboxamide
CID 663824
1H-Indole-3-carboxylic acid (3-methyl-thiophen-2-ylmethylene)-hydrazide
CID 6894174
N'-[(5-methyl-2-thienyl)methylene]-1H-indole-3-carbohydrazide
CID 5336341
5-(1-(2-(1H-indol-7-ylamino)-2-oxoethyl)-1H-pyrazol-3-yl)-N-hydroxythiophene-2-carboxamide
CID 10091222
3-[1-(3-Dimethylamino-propyl)-1H-indazol-3-yl]-4-(1-thiophen-2-yl-1H-indol-3-yl)-pyrrole-2,5-dione
CID 10185160
6-(1H-pyrazol-4-yl)-N-(2-thiophen-2-ylethyl)-1H-indole-3-carboxamide
CID 57392522
5-acetyl-N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]thiophene-2-carboxamide
CID 22978186

Frequently Asked Questions

What is the IUPAC name of 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(1H-indol-6-yl)thiophene-2-carboxamide?
The IUPAC name of 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(1H-indol-6-yl)thiophene-2-carboxamide (CID 164614300) is 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(1H-indol-6-yl)thiophene-2-carboxamide.
What is the SMILES notation for 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(1H-indol-6-yl)thiophene-2-carboxamide?
The canonical SMILES for 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(1H-indol-6-yl)thiophene-2-carboxamide is Cc1cc(C)n(Cc2ccc(C(=O)Nc3ccc4cc[nH]c4c3)s2)n1.
What is the InChIKey of 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(1H-indol-6-yl)thiophene-2-carboxamide?
The InChIKey is PRFJJGGCIIQYNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4OS/c1-12-9-13(2)23(22-12)11-16-5-6-18(25-16)19(24)21-15-4-3-14-7-8-20-17(14)10-15/h3-10,20H,11H2,1-2H3,(H,21,24).
What are the key properties of 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(1H-indol-6-yl)thiophene-2-carboxamide?
5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(1H-indol-6-yl)thiophene-2-carboxamide has a molecular weight of 350.45 g/mol, XLogP of 4.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(1H-indol-6-yl)thiophene-2-carboxamide is sourced from PubChem (CID 164614300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).