1-tert-butyl-5-chloropyrazol-4-amine

C7H12ClN3 — CID 115014238

IUPAC1-tert-butyl-5-chloropyrazol-4-amine
SMILESCC(C)(C)n1ncc(N)c1Cl
InChIInChI=1S/C7H12ClN3/c1-7(2,3)11-6(8)5(9)4-10-11/h4H,9H2,1-3H3
InChIKeyQTQDVSFLZAERHK-UHFFFAOYSA-N
MW173.65 g/mol
LogP1.87
Rot. Bonds

About 1-tert-butyl-5-chloropyrazol-4-amine

1-tert-butyl-5-chloropyrazol-4-amine (PubChem CID 115014238) has the molecular formula C7H12ClN3 and a molecular weight of 173.65 g/mol. Its IUPAC name is 1-tert-butyl-5-chloropyrazol-4-amine.

Molecular Properties

Compound Name1-tert-butyl-5-chloropyrazol-4-amine
PubChem CID115014238
Molecular FormulaC7H12ClN3
Molecular Weight173.65 g/mol
Exact Mass173.07
IUPAC Name1-tert-butyl-5-chloropyrazol-4-amine
SMILESCC(C)(C)n1ncc(N)c1Cl
InChIInChI=1S/C7H12ClN3/c1-7(2,3)11-6(8)5(9)4-10-11/h4H,9H2,1-3H3
InChIKeyQTQDVSFLZAERHK-UHFFFAOYSA-N
XLogP1.87
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.65
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-tert-butyl-5-chloropyrazol-4-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-tert-butyl-5-chloropyrazol-4-amine?
The IUPAC name of 1-tert-butyl-5-chloropyrazol-4-amine (CID 115014238) is 1-tert-butyl-5-chloropyrazol-4-amine.
What is the SMILES notation for 1-tert-butyl-5-chloropyrazol-4-amine?
The canonical SMILES for 1-tert-butyl-5-chloropyrazol-4-amine is CC(C)(C)n1ncc(N)c1Cl.
What is the InChIKey of 1-tert-butyl-5-chloropyrazol-4-amine?
The InChIKey is QTQDVSFLZAERHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12ClN3/c1-7(2,3)11-6(8)5(9)4-10-11/h4H,9H2,1-3H3.
What are the key properties of 1-tert-butyl-5-chloropyrazol-4-amine?
1-tert-butyl-5-chloropyrazol-4-amine has a molecular weight of 173.65 g/mol, XLogP of 1.87, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-5-chloropyrazol-4-amine is sourced from PubChem (CID 115014238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).