1-tert-butyl-3-(3-methylcyclobutyl)pyrazol-5-amine

C12H21N3 — CID 162343175

IUPAC1-tert-butyl-3-(3-methylcyclobutyl)pyrazol-5-amine
SMILESCC1CC(c2cc(N)n(C(C)(C)C)n2)C1
InChIInChI=1S/C12H21N3/c1-8-5-9(6-8)10-7-11(13)15(14-10)12(2,3)4/h7-9H,5-6,13H2,1-4H3
InChIKeyDGQXBBVTCGVBHC-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.73
Rot. Bonds1

About 1-tert-butyl-3-(3-methylcyclobutyl)pyrazol-5-amine

1-tert-butyl-3-(3-methylcyclobutyl)pyrazol-5-amine (PubChem CID 162343175) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 1-tert-butyl-3-(3-methylcyclobutyl)pyrazol-5-amine.

Molecular Properties

Compound Name1-tert-butyl-3-(3-methylcyclobutyl)pyrazol-5-amine
PubChem CID162343175
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name1-tert-butyl-3-(3-methylcyclobutyl)pyrazol-5-amine
SMILESCC1CC(c2cc(N)n(C(C)(C)C)n2)C1
InChIInChI=1S/C12H21N3/c1-8-5-9(6-8)10-7-11(13)15(14-10)12(2,3)4/h7-9H,5-6,13H2,1-4H3
InChIKeyDGQXBBVTCGVBHC-UHFFFAOYSA-N
XLogP2.73
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-tert-butyl-3-(3-methylcyclobutyl)pyrazol-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-tert-butyl-3-(3-methylcyclobutyl)pyrazol-5-amine?
The IUPAC name of 1-tert-butyl-3-(3-methylcyclobutyl)pyrazol-5-amine (CID 162343175) is 1-tert-butyl-3-(3-methylcyclobutyl)pyrazol-5-amine.
What is the SMILES notation for 1-tert-butyl-3-(3-methylcyclobutyl)pyrazol-5-amine?
The canonical SMILES for 1-tert-butyl-3-(3-methylcyclobutyl)pyrazol-5-amine is CC1CC(c2cc(N)n(C(C)(C)C)n2)C1.
What is the InChIKey of 1-tert-butyl-3-(3-methylcyclobutyl)pyrazol-5-amine?
The InChIKey is DGQXBBVTCGVBHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-8-5-9(6-8)10-7-11(13)15(14-10)12(2,3)4/h7-9H,5-6,13H2,1-4H3.
What are the key properties of 1-tert-butyl-3-(3-methylcyclobutyl)pyrazol-5-amine?
1-tert-butyl-3-(3-methylcyclobutyl)pyrazol-5-amine has a molecular weight of 207.32 g/mol, XLogP of 2.73, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-(3-methylcyclobutyl)pyrazol-5-amine is sourced from PubChem (CID 162343175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).