4-ethyl-5-methyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)thiophene-2-carboxamide

C16H21N3OS — CID 42956258

IUPAC4-ethyl-5-methyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)thiophene-2-carboxamide
SMILESCCc1cc(C(=O)NC2CCCc3c2cnn3C)sc1C
InChIInChI=1S/C16H21N3OS/c1-4-11-8-15(21-10(11)2)16(20)18-13-6-5-7-14-12(13)9-17-19(14)3/h8-9,13H,4-7H2,1-3H3,(H,18,20)
InChIKeyZOEMOVHUFJAUQM-UHFFFAOYSA-N
MW303.43 g/mol
LogP3.16
Rot. Bonds3

About 4-ethyl-5-methyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)thiophene-2-carboxamide

4-ethyl-5-methyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)thiophene-2-carboxamide (PubChem CID 42956258) has the molecular formula C16H21N3OS and a molecular weight of 303.43 g/mol. Its IUPAC name is 4-ethyl-5-methyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4-ethyl-5-methyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)thiophene-2-carboxamide
PubChem CID42956258
Molecular FormulaC16H21N3OS
Molecular Weight303.43 g/mol
Exact Mass303.14
IUPAC Name4-ethyl-5-methyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)thiophene-2-carboxamide
SMILESCCc1cc(C(=O)NC2CCCc3c2cnn3C)sc1C
InChIInChI=1S/C16H21N3OS/c1-4-11-8-15(21-10(11)2)16(20)18-13-6-5-7-14-12(13)9-17-19(14)3/h8-9,13H,4-7H2,1-3H3,(H,18,20)
InChIKeyZOEMOVHUFJAUQM-UHFFFAOYSA-N
XLogP3.16
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)thiophene-2-carboxamide
CID 47166057
6-methyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-4-oxo-1H-pyridine-3-carboxamide
CID 103696348
2,5-dimethyl-N-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]furan-3-carboxamide
CID 94187673
N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)cyclopropanecarboxamide
CID 42958313
3-amino-3-methyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)butanamide
CID 64683649
2-amino-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)butanamide
CID 43712088
3-hydroxy-N-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 95159871
1-amino-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)cyclopropane-1-carboxamide
CID 65464227
N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)pyridine-2-carboxamide
CID 47027925
N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 56731507
3-amino-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)pyridine-2-carboxamide
CID 104741380
2-cyano-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)acetamide
CID 110470107

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-methyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)thiophene-2-carboxamide?
The IUPAC name of 4-ethyl-5-methyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)thiophene-2-carboxamide (CID 42956258) is 4-ethyl-5-methyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)thiophene-2-carboxamide.
What is the SMILES notation for 4-ethyl-5-methyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)thiophene-2-carboxamide?
The canonical SMILES for 4-ethyl-5-methyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)thiophene-2-carboxamide is CCc1cc(C(=O)NC2CCCc3c2cnn3C)sc1C.
What is the InChIKey of 4-ethyl-5-methyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)thiophene-2-carboxamide?
The InChIKey is ZOEMOVHUFJAUQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3OS/c1-4-11-8-15(21-10(11)2)16(20)18-13-6-5-7-14-12(13)9-17-19(14)3/h8-9,13H,4-7H2,1-3H3,(H,18,20).
What are the key properties of 4-ethyl-5-methyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)thiophene-2-carboxamide?
4-ethyl-5-methyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)thiophene-2-carboxamide has a molecular weight of 303.43 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-methyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)thiophene-2-carboxamide is sourced from PubChem (CID 42956258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).