2-[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]propanoic acid

C11H19N3O2 — CID 64686967

IUPAC2-[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]propanoic acid
SMILESCc1nn(C)c(C)c1CN(C)C(C)C(=O)O
InChIInChI=1S/C11H19N3O2/c1-7-10(8(2)14(5)12-7)6-13(4)9(3)11(15)16/h9H,6H2,1-5H3,(H,15,16)
InChIKeyUSOWXMSSVDQANG-UHFFFAOYSA-N
MW225.29 g/mol
LogP0.94
Rot. Bonds4

About 2-[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]propanoic acid

2-[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]propanoic acid (PubChem CID 64686967) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 2-[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]propanoic acid
PubChem CID64686967
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name2-[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]propanoic acid
SMILESCc1nn(C)c(C)c1CN(C)C(C)C(=O)O
InChIInChI=1S/C11H19N3O2/c1-7-10(8(2)14(5)12-7)6-13(4)9(3)11(15)16/h9H,6H2,1-5H3,(H,15,16)
InChIKeyUSOWXMSSVDQANG-UHFFFAOYSA-N
XLogP0.94
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]propanoic acid
CID 97065604
2-[methyl-[2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]propanoic acid
CID 119209411
2-[[1-(2,4-difluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl-methylamino]propanoic acid
CID 122036899
N,1,3,5-tetramethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-4-carboxamide
CID 19477956
3-methyl-2-[[2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]butanoic acid
CID 119170294
4-bromo-N,1,3-trimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-5-carboxamide
CID 19478610
2-[5-[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]carbamoyl]pyrazol-1-yl]propanoic acid
CID 19485845
N-butan-2-yl-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 134006182
4-[methyl-[2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]butanoic acid
CID 119173238
N'-methyl-N'-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethane-1,2-diamine
CID 62682565
3-[propan-2-yl-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]propanoic acid
CID 60831751
3-hydroxy-2-[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]butanoic acid
CID 43353725

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]propanoic acid?
The IUPAC name of 2-[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]propanoic acid (CID 64686967) is 2-[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]propanoic acid.
What is the SMILES notation for 2-[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]propanoic acid?
The canonical SMILES for 2-[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]propanoic acid is Cc1nn(C)c(C)c1CN(C)C(C)C(=O)O.
What is the InChIKey of 2-[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]propanoic acid?
The InChIKey is USOWXMSSVDQANG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-7-10(8(2)14(5)12-7)6-13(4)9(3)11(15)16/h9H,6H2,1-5H3,(H,15,16).
What are the key properties of 2-[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]propanoic acid?
2-[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]propanoic acid has a molecular weight of 225.29 g/mol, XLogP of 0.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]propanoic acid is sourced from PubChem (CID 64686967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).