1-methyl-4-undecan-5-ylpyrazol-5-amine

C15H29N3 — CID 134178085

IUPAC1-methyl-4-undecan-5-ylpyrazol-5-amine
SMILESCCCCCCC(CCCC)c1cnn(C)c1N
InChIInChI=1S/C15H29N3/c1-4-6-8-9-11-13(10-7-5-2)14-12-17-18(3)15(14)16/h12-13H,4-11,16H2,1-3H3
InChIKeyXQKOKZYKDDAMFU-UHFFFAOYSA-N
MW251.42 g/mol
LogP4.25
Rot. Bonds9

About 1-methyl-4-undecan-5-ylpyrazol-5-amine

1-methyl-4-undecan-5-ylpyrazol-5-amine (PubChem CID 134178085) has the molecular formula C15H29N3 and a molecular weight of 251.42 g/mol. Its IUPAC name is 1-methyl-4-undecan-5-ylpyrazol-5-amine.

Molecular Properties

Compound Name1-methyl-4-undecan-5-ylpyrazol-5-amine
PubChem CID134178085
Molecular FormulaC15H29N3
Molecular Weight251.42 g/mol
Exact Mass251.24
IUPAC Name1-methyl-4-undecan-5-ylpyrazol-5-amine
SMILESCCCCCCC(CCCC)c1cnn(C)c1N
InChIInChI=1S/C15H29N3/c1-4-6-8-9-11-13(10-7-5-2)14-12-17-18(3)15(14)16/h12-13H,4-11,16H2,1-3H3
InChIKeyXQKOKZYKDDAMFU-UHFFFAOYSA-N
XLogP4.25
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.42
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-methyl-4-undecan-5-ylpyrazol-5-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-undecan-5-ylpyrazol-5-amine?
The IUPAC name of 1-methyl-4-undecan-5-ylpyrazol-5-amine (CID 134178085) is 1-methyl-4-undecan-5-ylpyrazol-5-amine.
What is the SMILES notation for 1-methyl-4-undecan-5-ylpyrazol-5-amine?
The canonical SMILES for 1-methyl-4-undecan-5-ylpyrazol-5-amine is CCCCCCC(CCCC)c1cnn(C)c1N.
What is the InChIKey of 1-methyl-4-undecan-5-ylpyrazol-5-amine?
The InChIKey is XQKOKZYKDDAMFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3/c1-4-6-8-9-11-13(10-7-5-2)14-12-17-18(3)15(14)16/h12-13H,4-11,16H2,1-3H3.
What are the key properties of 1-methyl-4-undecan-5-ylpyrazol-5-amine?
1-methyl-4-undecan-5-ylpyrazol-5-amine has a molecular weight of 251.42 g/mol, XLogP of 4.25, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-undecan-5-ylpyrazol-5-amine is sourced from PubChem (CID 134178085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).