5-methyl-N-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethyl]thiophene-2-carboxamide

C15H19N3OS — CID 91834000

IUPAC5-methyl-N-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethyl]thiophene-2-carboxamide
SMILESCc1ccc(C(=O)NCCc2n[nH]c3c2CCCC3)s1
InChIInChI=1S/C15H19N3OS/c1-10-6-7-14(20-10)15(19)16-9-8-13-11-4-2-3-5-12(11)17-18-13/h6-7H,2-5,8-9H2,1H3,(H,16,19)(H,17,18)
InChIKeyGNDJHVWNHRVUCO-UHFFFAOYSA-N
MW289.40 g/mol
LogP2.63
Rot. Bonds4

About 5-methyl-N-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethyl]thiophene-2-carboxamide

5-methyl-N-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethyl]thiophene-2-carboxamide (PubChem CID 91834000) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is 5-methyl-N-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethyl]thiophene-2-carboxamide
PubChem CID91834000
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC Name5-methyl-N-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethyl]thiophene-2-carboxamide
SMILESCc1ccc(C(=O)NCCc2n[nH]c3c2CCCC3)s1
InChIInChI=1S/C15H19N3OS/c1-10-6-7-14(20-10)15(19)16-9-8-13-11-4-2-3-5-12(11)17-18-13/h6-7H,2-5,8-9H2,1H3,(H,16,19)(H,17,18)
InChIKeyGNDJHVWNHRVUCO-UHFFFAOYSA-N
XLogP2.63
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethyl]thiophene-2-carboxamide?
The IUPAC name of 5-methyl-N-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethyl]thiophene-2-carboxamide (CID 91834000) is 5-methyl-N-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-methyl-N-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethyl]thiophene-2-carboxamide?
The canonical SMILES for 5-methyl-N-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethyl]thiophene-2-carboxamide is Cc1ccc(C(=O)NCCc2n[nH]c3c2CCCC3)s1.
What is the InChIKey of 5-methyl-N-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethyl]thiophene-2-carboxamide?
The InChIKey is GNDJHVWNHRVUCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-10-6-7-14(20-10)15(19)16-9-8-13-11-4-2-3-5-12(11)17-18-13/h6-7H,2-5,8-9H2,1H3,(H,16,19)(H,17,18).
What are the key properties of 5-methyl-N-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethyl]thiophene-2-carboxamide?
5-methyl-N-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethyl]thiophene-2-carboxamide has a molecular weight of 289.40 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 91834000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).