1-butyl-4-methylpyrazol-5-amine

C8H15N3 — CID 21455559

IUPAC1-butyl-4-methylpyrazol-5-amine
SMILESCCCCn1ncc(C)c1N
InChIInChI=1S/C8H15N3/c1-3-4-5-11-8(9)7(2)6-10-11/h6H,3-5,9H2,1-2H3
InChIKeyWLSUBAQIYOSKAX-UHFFFAOYSA-N
MW153.23 g/mol
LogP1.57
Rot. Bonds3

About 1-butyl-4-methylpyrazol-5-amine

1-butyl-4-methylpyrazol-5-amine (PubChem CID 21455559) has the molecular formula C8H15N3 and a molecular weight of 153.23 g/mol. Its IUPAC name is 1-butyl-4-methylpyrazol-5-amine.

Molecular Properties

Compound Name1-butyl-4-methylpyrazol-5-amine
PubChem CID21455559
Molecular FormulaC8H15N3
Molecular Weight153.23 g/mol
Exact Mass153.13
IUPAC Name1-butyl-4-methylpyrazol-5-amine
SMILESCCCCn1ncc(C)c1N
InChIInChI=1S/C8H15N3/c1-3-4-5-11-8(9)7(2)6-10-11/h6H,3-5,9H2,1-2H3
InChIKeyWLSUBAQIYOSKAX-UHFFFAOYSA-N
XLogP1.57
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-butyl-4-methylpyrazol-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-butyl-4-methylpyrazol-5-amine?
The IUPAC name of 1-butyl-4-methylpyrazol-5-amine (CID 21455559) is 1-butyl-4-methylpyrazol-5-amine.
What is the SMILES notation for 1-butyl-4-methylpyrazol-5-amine?
The canonical SMILES for 1-butyl-4-methylpyrazol-5-amine is CCCCn1ncc(C)c1N.
What is the InChIKey of 1-butyl-4-methylpyrazol-5-amine?
The InChIKey is WLSUBAQIYOSKAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3/c1-3-4-5-11-8(9)7(2)6-10-11/h6H,3-5,9H2,1-2H3.
What are the key properties of 1-butyl-4-methylpyrazol-5-amine?
1-butyl-4-methylpyrazol-5-amine has a molecular weight of 153.23 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-methylpyrazol-5-amine is sourced from PubChem (CID 21455559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).