2-methylsulfonyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)propanamide

C12H19N3O3S — CID 47221339

IUPAC2-methylsulfonyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)propanamide
SMILESCC(C(=O)NC1CCCc2c1cnn2C)S(C)(=O)=O
InChIInChI=1S/C12H19N3O3S/c1-8(19(3,17)18)12(16)14-10-5-4-6-11-9(10)7-13-15(11)2/h7-8,10H,4-6H2,1-3H3,(H,14,16)
InChIKeyLTNWTFWOSHEOGK-UHFFFAOYSA-N
MW285.37 g/mol
LogP0.35
Rot. Bonds3

About 2-methylsulfonyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)propanamide

2-methylsulfonyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)propanamide (PubChem CID 47221339) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is 2-methylsulfonyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)propanamide.

Molecular Properties

Compound Name2-methylsulfonyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)propanamide
PubChem CID47221339
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC Name2-methylsulfonyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)propanamide
SMILESCC(C(=O)NC1CCCc2c1cnn2C)S(C)(=O)=O
InChIInChI=1S/C12H19N3O3S/c1-8(19(3,17)18)12(16)14-10-5-4-6-11-9(10)7-13-15(11)2/h7-8,10H,4-6H2,1-3H3,(H,14,16)
InChIKeyLTNWTFWOSHEOGK-UHFFFAOYSA-N
XLogP0.35
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-amino-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)propanamide;hydrochloride
CID 119293132
3-amino-2-methyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)propanamide
CID 62669622
2-amino-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)butanamide
CID 43712088
N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)cyclopropanecarboxamide
CID 42958313
(2R)-2-methyl-N-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]-5-phenylpentanamide
CID 97258746
2-amino-4-methoxy-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)butanamide
CID 62475195
(E)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)but-2-enamide
CID 110470220
2-amino-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)cyclohexane-1-carboxamide
CID 64823360
(2S)-2-amino-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-3-phenylpropanamide
CID 119293122
2-(2-chlorophenoxy)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)propanamide
CID 56731318
1-amino-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)cyclopropane-1-carboxamide
CID 65464227
2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)carbamoyl]cyclobutane-1-carboxylic acid
CID 120975163

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfonyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)propanamide?
The IUPAC name of 2-methylsulfonyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)propanamide (CID 47221339) is 2-methylsulfonyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)propanamide.
What is the SMILES notation for 2-methylsulfonyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)propanamide?
The canonical SMILES for 2-methylsulfonyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)propanamide is CC(C(=O)NC1CCCc2c1cnn2C)S(C)(=O)=O.
What is the InChIKey of 2-methylsulfonyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)propanamide?
The InChIKey is LTNWTFWOSHEOGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S/c1-8(19(3,17)18)12(16)14-10-5-4-6-11-9(10)7-13-15(11)2/h7-8,10H,4-6H2,1-3H3,(H,14,16).
What are the key properties of 2-methylsulfonyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)propanamide?
2-methylsulfonyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)propanamide has a molecular weight of 285.37 g/mol, XLogP of 0.35, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfonyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)propanamide is sourced from PubChem (CID 47221339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).