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

C9H15N3O2 — CID 79778286

IUPAC5-[(1-methylpyrazol-4-yl)amino]pentanoic acid
SMILESCn1cc(NCCCCC(=O)O)cn1
InChIInChI=1S/C9H15N3O2/c1-12-7-8(6-11-12)10-5-3-2-4-9(13)14/h6-7,10H,2-5H2,1H3,(H,13,14)
InChIKeyOCCHVGDRDGIDKL-UHFFFAOYSA-N
MW197.24 g/mol
LogP1.09
Rot. Bonds6

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

5-[(1-methylpyrazol-4-yl)amino]pentanoic acid (PubChem CID 79778286) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 5-[(1-methylpyrazol-4-yl)amino]pentanoic acid.

Molecular Properties

Compound Name5-[(1-methylpyrazol-4-yl)amino]pentanoic acid
PubChem CID79778286
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name5-[(1-methylpyrazol-4-yl)amino]pentanoic acid
SMILESCn1cc(NCCCCC(=O)O)cn1
InChIInChI=1S/C9H15N3O2/c1-12-7-8(6-11-12)10-5-3-2-4-9(13)14/h6-7,10H,2-5H2,1H3,(H,13,14)
InChIKeyOCCHVGDRDGIDKL-UHFFFAOYSA-N
XLogP1.09
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 51.09
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

6-[(1-methylpyrazol-4-yl)amino]hexan-1-ol
CID 107703485
6-[(1-methylpyrazol-4-yl)carbamoylamino]-6-oxohexanoic acid
CID 43535239
3-[(1-methylpyrazol-4-yl)amino]propanamide
CID 79770849
5-[(1-methylpyrazol-4-yl)sulfonylamino]pentanoic acid
CID 62033979
5-[3-(1-methylpyrazol-4-yl)propanoylamino]pentanoic acid
CID 119234671
3-[(1-methylpyrazol-4-yl)sulfamoyl]propanoic acid
CID 43535078
6-[[2-amino-2-(1-methylpyrazol-4-yl)acetyl]amino]hexanoic acid
CID 115290306
3-(tert-butylamino)-N-(1-methylpyrazol-4-yl)propanamide
CID 60849362
3-[(1-methylpyrazol-4-yl)carbamoyl-propan-2-ylamino]propanoic acid
CID 61198142
4,4,4-trifluoro-N-(1-methylpyrazol-4-yl)butanamide
CID 155981643
4-[(1-methylpyrazol-4-yl)sulfonylamino]butanoic acid
CID 43361171
5-anilinopentanoic acid
CID 28972030

Frequently Asked Questions

What is the IUPAC name of 5-[(1-methylpyrazol-4-yl)amino]pentanoic acid?
The IUPAC name of 5-[(1-methylpyrazol-4-yl)amino]pentanoic acid (CID 79778286) is 5-[(1-methylpyrazol-4-yl)amino]pentanoic acid.
What is the SMILES notation for 5-[(1-methylpyrazol-4-yl)amino]pentanoic acid?
The canonical SMILES for 5-[(1-methylpyrazol-4-yl)amino]pentanoic acid is Cn1cc(NCCCCC(=O)O)cn1.
What is the InChIKey of 5-[(1-methylpyrazol-4-yl)amino]pentanoic acid?
The InChIKey is OCCHVGDRDGIDKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-12-7-8(6-11-12)10-5-3-2-4-9(13)14/h6-7,10H,2-5H2,1H3,(H,13,14).
What are the key properties of 5-[(1-methylpyrazol-4-yl)amino]pentanoic acid?
5-[(1-methylpyrazol-4-yl)amino]pentanoic acid has a molecular weight of 197.24 g/mol, XLogP of 1.09, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-methylpyrazol-4-yl)amino]pentanoic acid is sourced from PubChem (CID 79778286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).