2-methyl-N-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]propanamide

C13H21N3O — CID 71808271

IUPAC2-methyl-N-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]propanamide
SMILESCC(C)C(=O)NCc1nn(C)c2c1CCCC2
InChIInChI=1S/C13H21N3O/c1-9(2)13(17)14-8-11-10-6-4-5-7-12(10)16(3)15-11/h9H,4-8H2,1-3H3,(H,14,17)
InChIKeyYAGHDOKALDHTNZ-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.57
Rot. Bonds3

About 2-methyl-N-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]propanamide

2-methyl-N-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]propanamide (PubChem CID 71808271) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-methyl-N-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]propanamide
PubChem CID71808271
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name2-methyl-N-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]propanamide
SMILESCC(C)C(=O)NCc1nn(C)c2c1CCCC2
InChIInChI=1S/C13H21N3O/c1-9(2)13(17)14-8-11-10-6-4-5-7-12(10)16(3)15-11/h9H,4-8H2,1-3H3,(H,14,17)
InChIKeyYAGHDOKALDHTNZ-UHFFFAOYSA-N
XLogP1.57
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-N-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]propanamide
CID 71808274
3-bromo-N-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]benzamide
CID 71808327
1-(1,3-benzodioxol-5-yl)-3-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]urea
CID 71808368
1-[2-(4-methoxyphenyl)ethyl]-3-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]urea
CID 71808370
3-ethyl-1-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole
CID 123686375
N-methyl-2-(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)ethanamine
CID 84665096
N-[(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]-2-(1-phenylpyrazol-4-yl)acetamide
CID 167968162
1-methyl-N-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]imidazole-4-sulfonamide
CID 71808376
(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methanesulfonyl chloride
CID 84706764
2-methyl-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]propanamide
CID 90613700
N-[(4-fluorophenyl)methyl]-1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 110389004
N-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]-1-(1,3-thiazol-4-yl)methanesulfonamide
CID 166366248

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]propanamide?
The IUPAC name of 2-methyl-N-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]propanamide (CID 71808271) is 2-methyl-N-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]propanamide.
What is the SMILES notation for 2-methyl-N-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]propanamide?
The canonical SMILES for 2-methyl-N-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]propanamide is CC(C)C(=O)NCc1nn(C)c2c1CCCC2.
What is the InChIKey of 2-methyl-N-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]propanamide?
The InChIKey is YAGHDOKALDHTNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-9(2)13(17)14-8-11-10-6-4-5-7-12(10)16(3)15-11/h9H,4-8H2,1-3H3,(H,14,17).
What are the key properties of 2-methyl-N-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]propanamide?
2-methyl-N-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]propanamide has a molecular weight of 235.33 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]propanamide is sourced from PubChem (CID 71808271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).