N-butyl-5-methyl-1-(2-methylpropyl)pyrazol-3-amine

C12H23N3 — CID 122168926

IUPACN-butyl-5-methyl-1-(2-methylpropyl)pyrazol-3-amine
SMILESCCCCNc1cc(C)n(CC(C)C)n1
InChIInChI=1S/C12H23N3/c1-5-6-7-13-12-8-11(4)15(14-12)9-10(2)3/h8,10H,5-7,9H2,1-4H3,(H,13,14)
InChIKeyCLNDZZVGCKGTGG-UHFFFAOYSA-N
MW209.34 g/mol
LogP3.06
Rot. Bonds6

About N-butyl-5-methyl-1-(2-methylpropyl)pyrazol-3-amine

N-butyl-5-methyl-1-(2-methylpropyl)pyrazol-3-amine (PubChem CID 122168926) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is N-butyl-5-methyl-1-(2-methylpropyl)pyrazol-3-amine.

Molecular Properties

Compound NameN-butyl-5-methyl-1-(2-methylpropyl)pyrazol-3-amine
PubChem CID122168926
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC NameN-butyl-5-methyl-1-(2-methylpropyl)pyrazol-3-amine
SMILESCCCCNc1cc(C)n(CC(C)C)n1
InChIInChI=1S/C12H23N3/c1-5-6-7-13-12-8-11(4)15(14-12)9-10(2)3/h8,10H,5-7,9H2,1-4H3,(H,13,14)
InChIKeyCLNDZZVGCKGTGG-UHFFFAOYSA-N
XLogP3.06
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-butyl-5-methyl-1-(2-methylpropyl)pyrazol-3-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 N-butyl-5-methyl-1-(2-methylpropyl)pyrazol-3-amine?
The IUPAC name of N-butyl-5-methyl-1-(2-methylpropyl)pyrazol-3-amine (CID 122168926) is N-butyl-5-methyl-1-(2-methylpropyl)pyrazol-3-amine.
What is the SMILES notation for N-butyl-5-methyl-1-(2-methylpropyl)pyrazol-3-amine?
The canonical SMILES for N-butyl-5-methyl-1-(2-methylpropyl)pyrazol-3-amine is CCCCNc1cc(C)n(CC(C)C)n1.
What is the InChIKey of N-butyl-5-methyl-1-(2-methylpropyl)pyrazol-3-amine?
The InChIKey is CLNDZZVGCKGTGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3/c1-5-6-7-13-12-8-11(4)15(14-12)9-10(2)3/h8,10H,5-7,9H2,1-4H3,(H,13,14).
What are the key properties of N-butyl-5-methyl-1-(2-methylpropyl)pyrazol-3-amine?
N-butyl-5-methyl-1-(2-methylpropyl)pyrazol-3-amine has a molecular weight of 209.34 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-5-methyl-1-(2-methylpropyl)pyrazol-3-amine is sourced from PubChem (CID 122168926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).