1-(5-tert-butyl-1-ethylpyrazol-3-yl)cyclopropan-1-amine

C12H21N3 — CID 105461045

IUPAC1-(5-tert-butyl-1-ethylpyrazol-3-yl)cyclopropan-1-amine
SMILESCCn1nc(C2(N)CC2)cc1C(C)(C)C
InChIInChI=1S/C12H21N3/c1-5-15-10(11(2,3)4)8-9(14-15)12(13)6-7-12/h8H,5-7,13H2,1-4H3
InChIKeyIQCWVGFCVTWUPG-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.15
Rot. Bonds2

About 1-(5-tert-butyl-1-ethylpyrazol-3-yl)cyclopropan-1-amine

1-(5-tert-butyl-1-ethylpyrazol-3-yl)cyclopropan-1-amine (PubChem CID 105461045) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 1-(5-tert-butyl-1-ethylpyrazol-3-yl)cyclopropan-1-amine.

Molecular Properties

Compound Name1-(5-tert-butyl-1-ethylpyrazol-3-yl)cyclopropan-1-amine
PubChem CID105461045
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name1-(5-tert-butyl-1-ethylpyrazol-3-yl)cyclopropan-1-amine
SMILESCCn1nc(C2(N)CC2)cc1C(C)(C)C
InChIInChI=1S/C12H21N3/c1-5-15-10(11(2,3)4)8-9(14-15)12(13)6-7-12/h8H,5-7,13H2,1-4H3
InChIKeyIQCWVGFCVTWUPG-UHFFFAOYSA-N
XLogP2.15
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 ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-tert-butyl-1-ethylpyrazol-3-yl)cyclopropan-1-amine?
The IUPAC name of 1-(5-tert-butyl-1-ethylpyrazol-3-yl)cyclopropan-1-amine (CID 105461045) is 1-(5-tert-butyl-1-ethylpyrazol-3-yl)cyclopropan-1-amine.
What is the SMILES notation for 1-(5-tert-butyl-1-ethylpyrazol-3-yl)cyclopropan-1-amine?
The canonical SMILES for 1-(5-tert-butyl-1-ethylpyrazol-3-yl)cyclopropan-1-amine is CCn1nc(C2(N)CC2)cc1C(C)(C)C.
What is the InChIKey of 1-(5-tert-butyl-1-ethylpyrazol-3-yl)cyclopropan-1-amine?
The InChIKey is IQCWVGFCVTWUPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-5-15-10(11(2,3)4)8-9(14-15)12(13)6-7-12/h8H,5-7,13H2,1-4H3.
What are the key properties of 1-(5-tert-butyl-1-ethylpyrazol-3-yl)cyclopropan-1-amine?
1-(5-tert-butyl-1-ethylpyrazol-3-yl)cyclopropan-1-amine has a molecular weight of 207.32 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-tert-butyl-1-ethylpyrazol-3-yl)cyclopropan-1-amine is sourced from PubChem (CID 105461045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).