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

C11H19N3O2 — CID 103263035

IUPAC5-[(1,3-dimethylpyrazol-4-yl)methylamino]pentanoic acid
SMILESCc1nn(C)cc1CNCCCCC(=O)O
InChIInChI=1S/C11H19N3O2/c1-9-10(8-14(2)13-9)7-12-6-4-3-5-11(15)16/h8,12H,3-7H2,1-2H3,(H,15,16)
InChIKeyNVAILOSZBHBWTM-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.07
Rot. Bonds7

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

5-[(1,3-dimethylpyrazol-4-yl)methylamino]pentanoic acid (PubChem CID 103263035) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 5-[(1,3-dimethylpyrazol-4-yl)methylamino]pentanoic acid.

Molecular Properties

Compound Name5-[(1,3-dimethylpyrazol-4-yl)methylamino]pentanoic acid
PubChem CID103263035
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name5-[(1,3-dimethylpyrazol-4-yl)methylamino]pentanoic acid
SMILESCc1nn(C)cc1CNCCCCC(=O)O
InChIInChI=1S/C11H19N3O2/c1-9-10(8-14(2)13-9)7-12-6-4-3-5-11(15)16/h8,12H,3-7H2,1-2H3,(H,15,16)
InChIKeyNVAILOSZBHBWTM-UHFFFAOYSA-N
XLogP1.07
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.07
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-[(1,3-dimethylpyrazol-4-yl)methylamino]butanoic acid
CID 83088801
N-[(1,3-dimethylpyrazol-4-yl)methyl]decan-1-amine
CID 83089811
N'-[(1,3-dimethylpyrazol-4-yl)methyl]-N-ethylpropane-1,3-diamine
CID 102801492
ethyl 3-[(1,3-dimethylpyrazol-4-yl)methylamino]propanoate
CID 83089230
5-[(1,3-dimethylpyrazole-4-carbonyl)amino]pentanoic acid
CID 103790923
3-[(1,3-dimethylpyrazol-4-yl)methylamino]-N-propan-2-ylpropanamide
CID 112705218
N-[(1,3-dimethylpyrazol-4-yl)methyl]hept-6-en-1-amine
CID 107007071
4-[(1,3-dimethylpyrazol-4-yl)methylcarbamoyl-propan-2-ylamino]butanoic acid
CID 115991292
N-[(1,3-dimethylpyrazol-4-yl)methyl]-N',N'-diethylpropane-1,3-diamine;dihydrochloride
CID 126964368
N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-hydroxypentanamide
CID 112672114
6-[(1-methylpyrazol-3-yl)methylamino]hexanoic acid
CID 82882592
5-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]pentanamide
CID 112668674

Frequently Asked Questions

What is the IUPAC name of 5-[(1,3-dimethylpyrazol-4-yl)methylamino]pentanoic acid?
The IUPAC name of 5-[(1,3-dimethylpyrazol-4-yl)methylamino]pentanoic acid (CID 103263035) is 5-[(1,3-dimethylpyrazol-4-yl)methylamino]pentanoic acid.
What is the SMILES notation for 5-[(1,3-dimethylpyrazol-4-yl)methylamino]pentanoic acid?
The canonical SMILES for 5-[(1,3-dimethylpyrazol-4-yl)methylamino]pentanoic acid is Cc1nn(C)cc1CNCCCCC(=O)O.
What is the InChIKey of 5-[(1,3-dimethylpyrazol-4-yl)methylamino]pentanoic acid?
The InChIKey is NVAILOSZBHBWTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-9-10(8-14(2)13-9)7-12-6-4-3-5-11(15)16/h8,12H,3-7H2,1-2H3,(H,15,16).
What are the key properties of 5-[(1,3-dimethylpyrazol-4-yl)methylamino]pentanoic acid?
5-[(1,3-dimethylpyrazol-4-yl)methylamino]pentanoic acid has a molecular weight of 225.29 g/mol, XLogP of 1.07, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1,3-dimethylpyrazol-4-yl)methylamino]pentanoic acid is sourced from PubChem (CID 103263035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).