11-(2-methylpyrazol-3-yl)undecanoic acid

C15H26N2O2 — CID 10778184

IUPAC11-(2-methylpyrazol-3-yl)undecanoic acid
SMILESCn1nccc1CCCCCCCCCCC(=O)O
InChIInChI=1S/C15H26N2O2/c1-17-14(12-13-16-17)10-8-6-4-2-3-5-7-9-11-15(18)19/h12-13H,2-11H2,1H3,(H,18,19)
InChIKeyMQKNHUWLJIDPEQ-UHFFFAOYSA-N
MW266.38 g/mol
LogP3.56
Rot. Bonds11

About 11-(2-methylpyrazol-3-yl)undecanoic acid

11-(2-methylpyrazol-3-yl)undecanoic acid (PubChem CID 10778184) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 11-(2-methylpyrazol-3-yl)undecanoic acid.

Molecular Properties

Compound Name11-(2-methylpyrazol-3-yl)undecanoic acid
PubChem CID10778184
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name11-(2-methylpyrazol-3-yl)undecanoic acid
SMILESCn1nccc1CCCCCCCCCCC(=O)O
InChIInChI=1S/C15H26N2O2/c1-17-14(12-13-16-17)10-8-6-4-2-3-5-7-9-11-15(18)19/h12-13H,2-11H2,1H3,(H,18,19)
InChIKeyMQKNHUWLJIDPEQ-UHFFFAOYSA-N
XLogP3.56
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 11-(2-methylpyrazol-3-yl)undecanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[2-(2-methylpyrazol-3-yl)ethylamino]-6-oxohexanoic acid
CID 103004649
1-bromo-7-(2-methylpyrazol-3-yl)heptan-4-one
CID 106798885
3-[(2-methylpyrazol-3-yl)methylamino]propanoic acid
CID 43663377
4-[(2-methylpyrazol-3-yl)methylsulfamoyl]butanoic acid
CID 63302413
4-[(2-methylpyrazol-3-yl)methyl-propan-2-ylamino]butanoic acid
CID 65058245
4-(2-methylpyrazol-3-yl)butanal
CID 103014880
4-[4-[3-(2-methylpyrazol-3-yl)propanoylamino]phenoxy]butanoic acid
CID 120530793
3-[3-(2-methylpyrazol-3-yl)propanoyl-propan-2-ylamino]propanoic acid
CID 120520177
1-amino-4-(2-methylpyrazol-3-yl)-1-phenylbutan-2-one
CID 103023503
5-[(2-methylpyrazol-3-yl)methylcarbamoylamino]hexanoic acid
CID 82848263
2-[1-[2-(2-methylpyrazol-3-yl)ethyl]piperidin-4-yl]acetic acid
CID 103004893
4-ethyl-1-(2-methylpyrazol-3-yl)hexan-3-one
CID 103024188

Frequently Asked Questions

What is the IUPAC name of 11-(2-methylpyrazol-3-yl)undecanoic acid?
The IUPAC name of 11-(2-methylpyrazol-3-yl)undecanoic acid (CID 10778184) is 11-(2-methylpyrazol-3-yl)undecanoic acid.
What is the SMILES notation for 11-(2-methylpyrazol-3-yl)undecanoic acid?
The canonical SMILES for 11-(2-methylpyrazol-3-yl)undecanoic acid is Cn1nccc1CCCCCCCCCCC(=O)O.
What is the InChIKey of 11-(2-methylpyrazol-3-yl)undecanoic acid?
The InChIKey is MQKNHUWLJIDPEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-17-14(12-13-16-17)10-8-6-4-2-3-5-7-9-11-15(18)19/h12-13H,2-11H2,1H3,(H,18,19).
What are the key properties of 11-(2-methylpyrazol-3-yl)undecanoic acid?
11-(2-methylpyrazol-3-yl)undecanoic acid has a molecular weight of 266.38 g/mol, XLogP of 3.56, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(2-methylpyrazol-3-yl)undecanoic acid is sourced from PubChem (CID 10778184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).