2-tert-butyl-4,4-dimethyl-5,6-dihydrocyclopenta[c]pyrazol-3-amine

C12H21N3 — CID 79866632

IUPAC2-tert-butyl-4,4-dimethyl-5,6-dihydrocyclopenta[c]pyrazol-3-amine
SMILESCC1(C)CCc2nn(C(C)(C)C)c(N)c21
InChIInChI=1S/C12H21N3/c1-11(2,3)15-10(13)9-8(14-15)6-7-12(9,4)5/h6-7,13H2,1-5H3
InChIKeyWHBWSIJFJQXGFK-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.44
Rot. Bonds

About 2-tert-butyl-4,4-dimethyl-5,6-dihydrocyclopenta[c]pyrazol-3-amine

2-tert-butyl-4,4-dimethyl-5,6-dihydrocyclopenta[c]pyrazol-3-amine (PubChem CID 79866632) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 2-tert-butyl-4,4-dimethyl-5,6-dihydrocyclopenta[c]pyrazol-3-amine.

Molecular Properties

Compound Name2-tert-butyl-4,4-dimethyl-5,6-dihydrocyclopenta[c]pyrazol-3-amine
PubChem CID79866632
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name2-tert-butyl-4,4-dimethyl-5,6-dihydrocyclopenta[c]pyrazol-3-amine
SMILESCC1(C)CCc2nn(C(C)(C)C)c(N)c21
InChIInChI=1S/C12H21N3/c1-11(2,3)15-10(13)9-8(14-15)6-7-12(9,4)5/h6-7,13H2,1-5H3
InChIKeyWHBWSIJFJQXGFK-UHFFFAOYSA-N
XLogP2.44
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4,4-dimethyl-5,6-dihydrocyclopenta[c]pyrazol-3-amine?
The IUPAC name of 2-tert-butyl-4,4-dimethyl-5,6-dihydrocyclopenta[c]pyrazol-3-amine (CID 79866632) is 2-tert-butyl-4,4-dimethyl-5,6-dihydrocyclopenta[c]pyrazol-3-amine.
What is the SMILES notation for 2-tert-butyl-4,4-dimethyl-5,6-dihydrocyclopenta[c]pyrazol-3-amine?
The canonical SMILES for 2-tert-butyl-4,4-dimethyl-5,6-dihydrocyclopenta[c]pyrazol-3-amine is CC1(C)CCc2nn(C(C)(C)C)c(N)c21.
What is the InChIKey of 2-tert-butyl-4,4-dimethyl-5,6-dihydrocyclopenta[c]pyrazol-3-amine?
The InChIKey is WHBWSIJFJQXGFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-11(2,3)15-10(13)9-8(14-15)6-7-12(9,4)5/h6-7,13H2,1-5H3.
What are the key properties of 2-tert-butyl-4,4-dimethyl-5,6-dihydrocyclopenta[c]pyrazol-3-amine?
2-tert-butyl-4,4-dimethyl-5,6-dihydrocyclopenta[c]pyrazol-3-amine has a molecular weight of 207.32 g/mol, XLogP of 2.44, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4,4-dimethyl-5,6-dihydrocyclopenta[c]pyrazol-3-amine is sourced from PubChem (CID 79866632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).