2-methyl-6-[(1-methylpyrazol-4-yl)methylamino]heptanoic acid

C13H23N3O2 — CID 65289043

IUPAC2-methyl-6-[(1-methylpyrazol-4-yl)methylamino]heptanoic acid
SMILESCC(CCCC(C)C(=O)O)NCc1cnn(C)c1
InChIInChI=1S/C13H23N3O2/c1-10(13(17)18)5-4-6-11(2)14-7-12-8-15-16(3)9-12/h8-11,14H,4-7H2,1-3H3,(H,17,18)
InChIKeyYMZNXKMTBZOGJN-UHFFFAOYSA-N
MW253.35 g/mol
LogP1.79
Rot. Bonds8

About 2-methyl-6-[(1-methylpyrazol-4-yl)methylamino]heptanoic acid

2-methyl-6-[(1-methylpyrazol-4-yl)methylamino]heptanoic acid (PubChem CID 65289043) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 2-methyl-6-[(1-methylpyrazol-4-yl)methylamino]heptanoic acid.

Molecular Properties

Compound Name2-methyl-6-[(1-methylpyrazol-4-yl)methylamino]heptanoic acid
PubChem CID65289043
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name2-methyl-6-[(1-methylpyrazol-4-yl)methylamino]heptanoic acid
SMILESCC(CCCC(C)C(=O)O)NCc1cnn(C)c1
InChIInChI=1S/C13H23N3O2/c1-10(13(17)18)5-4-6-11(2)14-7-12-8-15-16(3)9-12/h8-11,14H,4-7H2,1-3H3,(H,17,18)
InChIKeyYMZNXKMTBZOGJN-UHFFFAOYSA-N
XLogP1.79
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-methyl-6-[(1-methylpyrazol-4-yl)methylamino]heptanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-3-[(1-methylpyrazol-4-yl)methylamino]propanoic acid
CID 61350630
4-chloro-N-[(1-methylpyrazol-4-yl)methyl]butan-2-amine
CID 83187892
1-N,1-N-diethyl-4-N-[(1-methylpyrazol-4-yl)methyl]pentane-1,4-diamine
CID 43180284
6-[(5-chloro-1-methylimidazol-2-yl)methylamino]-2-methylheptanoic acid
CID 65288998
5-[(1-methylpyrazol-4-yl)methylcarbamoylamino]hexanoic acid
CID 82848999
2-methyl-4-[2-(1-methylpyrazol-4-yl)ethylcarbamoylamino]butanoic acid
CID 80689654
2,3-dimethyl-4-[(1-methylpyrazol-4-yl)methylamino]-4-oxobutanoic acid
CID 103498022
5-methoxy-2-[(1-methylpyrazol-4-yl)methylcarbamoylamino]pentanoic acid
CID 81084970
3-methyl-N-[(1-methylpyrazol-4-yl)methyl]butan-2-amine
CID 43085339
4-[2-(1-methylpyrazol-4-yl)ethylamino]pentan-1-ol
CID 103947686
4-[2-[(1-methylpyrazol-4-yl)methylamino]propyl]phenol
CID 78943311
2-[(1-methylpyrazol-4-yl)methylsulfamoyl]propanoic acid
CID 61457890

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[(1-methylpyrazol-4-yl)methylamino]heptanoic acid?
The IUPAC name of 2-methyl-6-[(1-methylpyrazol-4-yl)methylamino]heptanoic acid (CID 65289043) is 2-methyl-6-[(1-methylpyrazol-4-yl)methylamino]heptanoic acid.
What is the SMILES notation for 2-methyl-6-[(1-methylpyrazol-4-yl)methylamino]heptanoic acid?
The canonical SMILES for 2-methyl-6-[(1-methylpyrazol-4-yl)methylamino]heptanoic acid is CC(CCCC(C)C(=O)O)NCc1cnn(C)c1.
What is the InChIKey of 2-methyl-6-[(1-methylpyrazol-4-yl)methylamino]heptanoic acid?
The InChIKey is YMZNXKMTBZOGJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-10(13(17)18)5-4-6-11(2)14-7-12-8-15-16(3)9-12/h8-11,14H,4-7H2,1-3H3,(H,17,18).
What are the key properties of 2-methyl-6-[(1-methylpyrazol-4-yl)methylamino]heptanoic acid?
2-methyl-6-[(1-methylpyrazol-4-yl)methylamino]heptanoic acid has a molecular weight of 253.35 g/mol, XLogP of 1.79, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[(1-methylpyrazol-4-yl)methylamino]heptanoic acid is sourced from PubChem (CID 65289043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).