2-[(1,5-dimethylpyrazol-4-yl)methylamino]-4-methylpentanoic acid

C12H21N3O2 — CID 79579169

IUPAC2-[(1,5-dimethylpyrazol-4-yl)methylamino]-4-methylpentanoic acid
SMILESCc1c(CNC(CC(C)C)C(=O)O)cnn1C
InChIInChI=1S/C12H21N3O2/c1-8(2)5-11(12(16)17)13-6-10-7-14-15(4)9(10)3/h7-8,11,13H,5-6H2,1-4H3,(H,16,17)
InChIKeyLTDLXUYGSIEVMC-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.32
Rot. Bonds6

About 2-[(1,5-dimethylpyrazol-4-yl)methylamino]-4-methylpentanoic acid

2-[(1,5-dimethylpyrazol-4-yl)methylamino]-4-methylpentanoic acid (PubChem CID 79579169) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 2-[(1,5-dimethylpyrazol-4-yl)methylamino]-4-methylpentanoic acid.

Molecular Properties

Compound Name2-[(1,5-dimethylpyrazol-4-yl)methylamino]-4-methylpentanoic acid
PubChem CID79579169
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name2-[(1,5-dimethylpyrazol-4-yl)methylamino]-4-methylpentanoic acid
SMILESCc1c(CNC(CC(C)C)C(=O)O)cnn1C
InChIInChI=1S/C12H21N3O2/c1-8(2)5-11(12(16)17)13-6-10-7-14-15(4)9(10)3/h7-8,11,13H,5-6H2,1-4H3,(H,16,17)
InChIKeyLTDLXUYGSIEVMC-UHFFFAOYSA-N
XLogP1.32
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1,5-dimethylpyrazol-4-yl)methylamino]-N,4-dimethylpentanamide
CID 79578558
3-[(1,5-dimethylpyrazol-4-yl)methylamino]-2-methylpropanoic acid
CID 106035596
1-[(1,5-dimethylpyrazol-4-yl)methylamino]ethanol
CID 155693973
(2S)-2-[(1,5-dimethylpyrazole-4-carbonyl)amino]-4-methylpentanoic acid
CID 28777199
2-acetamido-3-[(1,5-dimethylpyrazol-4-yl)methylamino]propanoic acid
CID 106035702
2-[(1,5-dimethylpyrazol-4-yl)methylamino]-N-(3-methylbutyl)propanamide
CID 103859872
3-[(1,5-dimethylpyrazol-4-yl)methylamino]-2-methylpropanamide
CID 106044659
1-[(1,5-dimethylpyrazol-4-yl)methylamino]-4-methylpentan-2-ol
CID 109480929
(2R)-N-[(1,5-dimethylpyrazol-4-yl)methyl]butan-2-amine
CID 93459109
2-[(1,5-dimethylpyrazol-4-yl)methylcarbamoylamino]pent-4-ynoic acid
CID 106037684
(2R)-5-amino-2-[(1,5-dimethylpyrazol-4-yl)methylcarbamoylamino]-5-oxopentanoic acid
CID 106037774
(2S)-2-[(2,5-dimethylphenyl)methylamino]-4-methylpentanoic acid
CID 120510814

Frequently Asked Questions

What is the IUPAC name of 2-[(1,5-dimethylpyrazol-4-yl)methylamino]-4-methylpentanoic acid?
The IUPAC name of 2-[(1,5-dimethylpyrazol-4-yl)methylamino]-4-methylpentanoic acid (CID 79579169) is 2-[(1,5-dimethylpyrazol-4-yl)methylamino]-4-methylpentanoic acid.
What is the SMILES notation for 2-[(1,5-dimethylpyrazol-4-yl)methylamino]-4-methylpentanoic acid?
The canonical SMILES for 2-[(1,5-dimethylpyrazol-4-yl)methylamino]-4-methylpentanoic acid is Cc1c(CNC(CC(C)C)C(=O)O)cnn1C.
What is the InChIKey of 2-[(1,5-dimethylpyrazol-4-yl)methylamino]-4-methylpentanoic acid?
The InChIKey is LTDLXUYGSIEVMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-8(2)5-11(12(16)17)13-6-10-7-14-15(4)9(10)3/h7-8,11,13H,5-6H2,1-4H3,(H,16,17).
What are the key properties of 2-[(1,5-dimethylpyrazol-4-yl)methylamino]-4-methylpentanoic acid?
2-[(1,5-dimethylpyrazol-4-yl)methylamino]-4-methylpentanoic acid has a molecular weight of 239.32 g/mol, XLogP of 1.32, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,5-dimethylpyrazol-4-yl)methylamino]-4-methylpentanoic acid is sourced from PubChem (CID 79579169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).