3-tert-butyl-N-methyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-4-amine

C11H19N3 — CID 83861619

IUPAC3-tert-butyl-N-methyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-4-amine
SMILESCNC1CCc2[nH]nc(C(C)(C)C)c21
InChIInChI=1S/C11H19N3/c1-11(2,3)10-9-7(12-4)5-6-8(9)13-14-10/h7,12H,5-6H2,1-4H3,(H,13,14)
InChIKeyMFBIHPMBWZZPMZ-UHFFFAOYSA-N
MW193.29 g/mol
LogP1.91
Rot. Bonds1

About 3-tert-butyl-N-methyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-4-amine

3-tert-butyl-N-methyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-4-amine (PubChem CID 83861619) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is 3-tert-butyl-N-methyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-4-amine.

Molecular Properties

Compound Name3-tert-butyl-N-methyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-4-amine
PubChem CID83861619
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name3-tert-butyl-N-methyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-4-amine
SMILESCNC1CCc2[nH]nc(C(C)(C)C)c21
InChIInChI=1S/C11H19N3/c1-11(2,3)10-9-7(12-4)5-6-8(9)13-14-10/h7,12H,5-6H2,1-4H3,(H,13,14)
InChIKeyMFBIHPMBWZZPMZ-UHFFFAOYSA-N
XLogP1.91
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-tert-butyl-N-methyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-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 3-tert-butyl-N-methyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-4-amine?
The IUPAC name of 3-tert-butyl-N-methyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-4-amine (CID 83861619) is 3-tert-butyl-N-methyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-4-amine.
What is the SMILES notation for 3-tert-butyl-N-methyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-4-amine?
The canonical SMILES for 3-tert-butyl-N-methyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-4-amine is CNC1CCc2[nH]nc(C(C)(C)C)c21.
What is the InChIKey of 3-tert-butyl-N-methyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-4-amine?
The InChIKey is MFBIHPMBWZZPMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-11(2,3)10-9-7(12-4)5-6-8(9)13-14-10/h7,12H,5-6H2,1-4H3,(H,13,14).
What are the key properties of 3-tert-butyl-N-methyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-4-amine?
3-tert-butyl-N-methyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-4-amine has a molecular weight of 193.29 g/mol, XLogP of 1.91, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-N-methyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-4-amine is sourced from PubChem (CID 83861619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).