3-[(1,5-dimethylpyrazol-4-yl)methylamino]-2-methylpropanoic acid

C10H17N3O2 — CID 106035596

IUPAC3-[(1,5-dimethylpyrazol-4-yl)methylamino]-2-methylpropanoic acid
SMILESCc1c(CNCC(C)C(=O)O)cnn1C
InChIInChI=1S/C10H17N3O2/c1-7(10(14)15)4-11-5-9-6-12-13(3)8(9)2/h6-7,11H,4-5H2,1-3H3,(H,14,15)
InChIKeyUIYQLMFPINYYHK-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.54
Rot. Bonds5

About 3-[(1,5-dimethylpyrazol-4-yl)methylamino]-2-methylpropanoic acid

3-[(1,5-dimethylpyrazol-4-yl)methylamino]-2-methylpropanoic acid (PubChem CID 106035596) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 3-[(1,5-dimethylpyrazol-4-yl)methylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[(1,5-dimethylpyrazol-4-yl)methylamino]-2-methylpropanoic acid
PubChem CID106035596
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name3-[(1,5-dimethylpyrazol-4-yl)methylamino]-2-methylpropanoic acid
SMILESCc1c(CNCC(C)C(=O)O)cnn1C
InChIInChI=1S/C10H17N3O2/c1-7(10(14)15)4-11-5-9-6-12-13(3)8(9)2/h6-7,11H,4-5H2,1-3H3,(H,14,15)
InChIKeyUIYQLMFPINYYHK-UHFFFAOYSA-N
XLogP0.54
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(1,5-dimethylpyrazol-4-yl)methylamino]-2-methylpropanamide
CID 106044659
2-acetamido-3-[(1,5-dimethylpyrazol-4-yl)methylamino]propanoic acid
CID 106035702
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylpropan-1-amine;hydrochloride
CID 126964678
2-[(1,5-dimethylpyrazol-4-yl)methylamino]-4-methylpentanoic acid
CID 79579169
1-[(1,5-dimethylpyrazol-4-yl)methylamino]-4-methylpentan-2-ol
CID 109480929
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methoxypropan-1-amine
CID 102696485
2-[(1,5-dimethylpyrazol-4-yl)methylamino]-N-methylacetamide
CID 79578533
1-[(1,5-dimethylpyrazol-4-yl)methylamino]-3-(2-methylpropoxy)propan-2-ol
CID 103851386
2-methyl-3-[(1-methylpyrazol-4-yl)methylamino]propanoic acid
CID 61350630
N-[2-[(1,5-dimethylpyrazol-4-yl)methylamino]ethyl]acetamide
CID 79579132
4-[[(1,5-dimethylpyrazol-4-yl)methylamino]methyl]benzoic acid
CID 19624595
1-[(1,5-dimethylpyrazol-4-yl)methylamino]ethanol
CID 155693973

Frequently Asked Questions

What is the IUPAC name of 3-[(1,5-dimethylpyrazol-4-yl)methylamino]-2-methylpropanoic acid?
The IUPAC name of 3-[(1,5-dimethylpyrazol-4-yl)methylamino]-2-methylpropanoic acid (CID 106035596) is 3-[(1,5-dimethylpyrazol-4-yl)methylamino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[(1,5-dimethylpyrazol-4-yl)methylamino]-2-methylpropanoic acid?
The canonical SMILES for 3-[(1,5-dimethylpyrazol-4-yl)methylamino]-2-methylpropanoic acid is Cc1c(CNCC(C)C(=O)O)cnn1C.
What is the InChIKey of 3-[(1,5-dimethylpyrazol-4-yl)methylamino]-2-methylpropanoic acid?
The InChIKey is UIYQLMFPINYYHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-7(10(14)15)4-11-5-9-6-12-13(3)8(9)2/h6-7,11H,4-5H2,1-3H3,(H,14,15).
What are the key properties of 3-[(1,5-dimethylpyrazol-4-yl)methylamino]-2-methylpropanoic acid?
3-[(1,5-dimethylpyrazol-4-yl)methylamino]-2-methylpropanoic acid has a molecular weight of 211.26 g/mol, XLogP of 0.54, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1,5-dimethylpyrazol-4-yl)methylamino]-2-methylpropanoic acid is sourced from PubChem (CID 106035596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).