6-[(1-methylpyrazol-3-yl)methylamino]hexanoic acid

C11H19N3O2 — CID 82882592

IUPAC6-[(1-methylpyrazol-3-yl)methylamino]hexanoic acid
SMILESCn1ccc(CNCCCCCC(=O)O)n1
InChIInChI=1S/C11H19N3O2/c1-14-8-6-10(13-14)9-12-7-4-2-3-5-11(15)16/h6,8,12H,2-5,7,9H2,1H3,(H,15,16)
InChIKeyRPHCLRPCQVICDP-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.15
Rot. Bonds8

About 6-[(1-methylpyrazol-3-yl)methylamino]hexanoic acid

6-[(1-methylpyrazol-3-yl)methylamino]hexanoic acid (PubChem CID 82882592) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 6-[(1-methylpyrazol-3-yl)methylamino]hexanoic acid.

Molecular Properties

Compound Name6-[(1-methylpyrazol-3-yl)methylamino]hexanoic acid
PubChem CID82882592
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name6-[(1-methylpyrazol-3-yl)methylamino]hexanoic acid
SMILESCn1ccc(CNCCCCCC(=O)O)n1
InChIInChI=1S/C11H19N3O2/c1-14-8-6-10(13-14)9-12-7-4-2-3-5-11(15)16/h6,8,12H,2-5,7,9H2,1H3,(H,15,16)
InChIKeyRPHCLRPCQVICDP-UHFFFAOYSA-N
XLogP1.15
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-N-[(1-methylpyrazol-3-yl)methyl]butan-1-amine
CID 106844741
N-[(1-methylpyrazol-3-yl)methyl]-3-phenylpropan-1-amine
CID 78920976
5-[2-(1-methylpyrazol-3-yl)ethylamino]-5-oxopentanoic acid
CID 104630849
4-[(1-phenylpyrazol-3-yl)methylamino]butanoic acid
CID 55127369
4-[methyl-[(1-methylpyrazol-3-yl)methylcarbamoyl]amino]butanoic acid
CID 82872604
2-[2-(1-methylpyrazol-3-yl)ethylamino]acetic acid
CID 106104698
5-[(1,3-dimethylpyrazol-4-yl)methylamino]pentanoic acid
CID 103263035
4-[(1-methylpyrazol-3-yl)methylcarbamoylamino]-4-oxobutanoic acid
CID 82873391
2-ethylsulfonyl-N-[(1-methylpyrazol-3-yl)methyl]ethanamine
CID 78924573
5-[(1-pentan-3-ylpyrazol-3-yl)methylamino]pentanamide
CID 106236870
N',N'-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]ethane-1,2-diamine
CID 78923359
8-(pyridin-4-ylmethylamino)octanoic acid
CID 102039807

Frequently Asked Questions

What is the IUPAC name of 6-[(1-methylpyrazol-3-yl)methylamino]hexanoic acid?
The IUPAC name of 6-[(1-methylpyrazol-3-yl)methylamino]hexanoic acid (CID 82882592) is 6-[(1-methylpyrazol-3-yl)methylamino]hexanoic acid.
What is the SMILES notation for 6-[(1-methylpyrazol-3-yl)methylamino]hexanoic acid?
The canonical SMILES for 6-[(1-methylpyrazol-3-yl)methylamino]hexanoic acid is Cn1ccc(CNCCCCCC(=O)O)n1.
What is the InChIKey of 6-[(1-methylpyrazol-3-yl)methylamino]hexanoic acid?
The InChIKey is RPHCLRPCQVICDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-14-8-6-10(13-14)9-12-7-4-2-3-5-11(15)16/h6,8,12H,2-5,7,9H2,1H3,(H,15,16).
What are the key properties of 6-[(1-methylpyrazol-3-yl)methylamino]hexanoic acid?
6-[(1-methylpyrazol-3-yl)methylamino]hexanoic acid has a molecular weight of 225.29 g/mol, XLogP of 1.15, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1-methylpyrazol-3-yl)methylamino]hexanoic acid is sourced from PubChem (CID 82882592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).