5-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pentanoic acid

C11H19N3O2 — CID 61442340

IUPAC5-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pentanoic acid
SMILESCN(CCCCC(=O)O)Cc1cnn(C)c1
InChIInChI=1S/C11H19N3O2/c1-13(6-4-3-5-11(15)16)8-10-7-12-14(2)9-10/h7,9H,3-6,8H2,1-2H3,(H,15,16)
InChIKeyZZEDZZJESRKTKJ-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.11
Rot. Bonds7

About 5-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pentanoic acid

5-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pentanoic acid (PubChem CID 61442340) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 5-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pentanoic acid.

Molecular Properties

Compound Name5-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pentanoic acid
PubChem CID61442340
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name5-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pentanoic acid
SMILESCN(CCCCC(=O)O)Cc1cnn(C)c1
InChIInChI=1S/C11H19N3O2/c1-13(6-4-3-5-11(15)16)8-10-7-12-14(2)9-10/h7,9H,3-6,8H2,1-2H3,(H,15,16)
InChIKeyZZEDZZJESRKTKJ-UHFFFAOYSA-N
XLogP1.11
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]butanoic acid
CID 61442435
9-bromo-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]nonan-1-amine
CID 105343668
3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]propanehydrazide
CID 63583505
2-[methyl-[3-(1-methylpyrazol-4-yl)propyl]amino]acetic acid
CID 56703387
N-(2-cyanoethyl)-N-methyl-3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]propanamide
CID 61438320
2-[methyl-[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]amino]acetic acid
CID 61440246
5-[benzyl(methyl)amino]pentanoic acid
CID 28972352
N'-methyl-N'-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylpropane-1,3-diamine
CID 61441963
2,3-dimethyl-4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-4-oxobut-2-enoic acid
CID 76992644
2-[carboxymethyl-[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]amino]acetic acid
CID 63644606
4-[[methyl-[2-(1-methylpyrazol-4-yl)ethyl]amino]methyl]benzoic acid
CID 103004734
5-[3-(1-methylpyrazol-4-yl)propanoylamino]pentanoic acid
CID 119234671

Frequently Asked Questions

What is the IUPAC name of 5-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pentanoic acid?
The IUPAC name of 5-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pentanoic acid (CID 61442340) is 5-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pentanoic acid.
What is the SMILES notation for 5-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pentanoic acid?
The canonical SMILES for 5-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pentanoic acid is CN(CCCCC(=O)O)Cc1cnn(C)c1.
What is the InChIKey of 5-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pentanoic acid?
The InChIKey is ZZEDZZJESRKTKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-13(6-4-3-5-11(15)16)8-10-7-12-14(2)9-10/h7,9H,3-6,8H2,1-2H3,(H,15,16).
What are the key properties of 5-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pentanoic acid?
5-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pentanoic acid has a molecular weight of 225.29 g/mol, XLogP of 1.11, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pentanoic acid is sourced from PubChem (CID 61442340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).