1-tert-butyl-5-cyclobutylpyrazol-3-amine

C11H19N3 — CID 105447509

IUPAC1-tert-butyl-5-cyclobutylpyrazol-3-amine
SMILESCC(C)(C)n1nc(N)cc1C1CCC1
InChIInChI=1S/C11H19N3/c1-11(2,3)14-9(7-10(12)13-14)8-5-4-6-8/h7-8H,4-6H2,1-3H3,(H2,12,13)
InChIKeyZORXTQKTDAGNIB-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.49
Rot. Bonds1

About 1-tert-butyl-5-cyclobutylpyrazol-3-amine

1-tert-butyl-5-cyclobutylpyrazol-3-amine (PubChem CID 105447509) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is 1-tert-butyl-5-cyclobutylpyrazol-3-amine.

Molecular Properties

Compound Name1-tert-butyl-5-cyclobutylpyrazol-3-amine
PubChem CID105447509
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name1-tert-butyl-5-cyclobutylpyrazol-3-amine
SMILESCC(C)(C)n1nc(N)cc1C1CCC1
InChIInChI=1S/C11H19N3/c1-11(2,3)14-9(7-10(12)13-14)8-5-4-6-8/h7-8H,4-6H2,1-3H3,(H2,12,13)
InChIKeyZORXTQKTDAGNIB-UHFFFAOYSA-N
XLogP2.49
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-5-cyclobutylpyrazol-3-amine?
The IUPAC name of 1-tert-butyl-5-cyclobutylpyrazol-3-amine (CID 105447509) is 1-tert-butyl-5-cyclobutylpyrazol-3-amine.
What is the SMILES notation for 1-tert-butyl-5-cyclobutylpyrazol-3-amine?
The canonical SMILES for 1-tert-butyl-5-cyclobutylpyrazol-3-amine is CC(C)(C)n1nc(N)cc1C1CCC1.
What is the InChIKey of 1-tert-butyl-5-cyclobutylpyrazol-3-amine?
The InChIKey is ZORXTQKTDAGNIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-11(2,3)14-9(7-10(12)13-14)8-5-4-6-8/h7-8H,4-6H2,1-3H3,(H2,12,13).
What are the key properties of 1-tert-butyl-5-cyclobutylpyrazol-3-amine?
1-tert-butyl-5-cyclobutylpyrazol-3-amine has a molecular weight of 193.29 g/mol, XLogP of 2.49, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-5-cyclobutylpyrazol-3-amine is sourced from PubChem (CID 105447509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).