(5-tert-butyl-1-cyclobutylpyrazol-3-yl)methanamine

C12H21N3 — CID 115025496

IUPAC(5-tert-butyl-1-cyclobutylpyrazol-3-yl)methanamine
SMILESCC(C)(C)c1cc(CN)nn1C1CCC1
InChIInChI=1S/C12H21N3/c1-12(2,3)11-7-9(8-13)14-15(11)10-5-4-6-10/h7,10H,4-6,8,13H2,1-3H3
InChIKeyYPASZPKOQMGBAF-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.36
Rot. Bonds2

About (5-tert-butyl-1-cyclobutylpyrazol-3-yl)methanamine

(5-tert-butyl-1-cyclobutylpyrazol-3-yl)methanamine (PubChem CID 115025496) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is (5-tert-butyl-1-cyclobutylpyrazol-3-yl)methanamine.

Molecular Properties

Compound Name(5-tert-butyl-1-cyclobutylpyrazol-3-yl)methanamine
PubChem CID115025496
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name(5-tert-butyl-1-cyclobutylpyrazol-3-yl)methanamine
SMILESCC(C)(C)c1cc(CN)nn1C1CCC1
InChIInChI=1S/C12H21N3/c1-12(2,3)11-7-9(8-13)14-15(11)10-5-4-6-10/h7,10H,4-6,8,13H2,1-3H3
InChIKeyYPASZPKOQMGBAF-UHFFFAOYSA-N
XLogP2.36
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-tert-butyl-1-cyclobutylpyrazol-3-yl)methanamine?
The IUPAC name of (5-tert-butyl-1-cyclobutylpyrazol-3-yl)methanamine (CID 115025496) is (5-tert-butyl-1-cyclobutylpyrazol-3-yl)methanamine.
What is the SMILES notation for (5-tert-butyl-1-cyclobutylpyrazol-3-yl)methanamine?
The canonical SMILES for (5-tert-butyl-1-cyclobutylpyrazol-3-yl)methanamine is CC(C)(C)c1cc(CN)nn1C1CCC1.
What is the InChIKey of (5-tert-butyl-1-cyclobutylpyrazol-3-yl)methanamine?
The InChIKey is YPASZPKOQMGBAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-12(2,3)11-7-9(8-13)14-15(11)10-5-4-6-10/h7,10H,4-6,8,13H2,1-3H3.
What are the key properties of (5-tert-butyl-1-cyclobutylpyrazol-3-yl)methanamine?
(5-tert-butyl-1-cyclobutylpyrazol-3-yl)methanamine has a molecular weight of 207.32 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-tert-butyl-1-cyclobutylpyrazol-3-yl)methanamine is sourced from PubChem (CID 115025496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).