1-(5-cyclobutyl-1-ethylpyrazol-3-yl)propan-2-amine

C12H21N3 — CID 105461054

IUPAC1-(5-cyclobutyl-1-ethylpyrazol-3-yl)propan-2-amine
SMILESCCn1nc(CC(C)N)cc1C1CCC1
InChIInChI=1S/C12H21N3/c1-3-15-12(10-5-4-6-10)8-11(14-15)7-9(2)13/h8-10H,3-7,13H2,1-2H3
InChIKeyFYKUFFVFODDIGF-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.06
Rot. Bonds4

About 1-(5-cyclobutyl-1-ethylpyrazol-3-yl)propan-2-amine

1-(5-cyclobutyl-1-ethylpyrazol-3-yl)propan-2-amine (PubChem CID 105461054) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 1-(5-cyclobutyl-1-ethylpyrazol-3-yl)propan-2-amine.

Molecular Properties

Compound Name1-(5-cyclobutyl-1-ethylpyrazol-3-yl)propan-2-amine
PubChem CID105461054
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name1-(5-cyclobutyl-1-ethylpyrazol-3-yl)propan-2-amine
SMILESCCn1nc(CC(C)N)cc1C1CCC1
InChIInChI=1S/C12H21N3/c1-3-15-12(10-5-4-6-10)8-11(14-15)7-9(2)13/h8-10H,3-7,13H2,1-2H3
InChIKeyFYKUFFVFODDIGF-UHFFFAOYSA-N
XLogP2.06
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-cyclobutyl-1-ethylpyrazol-3-yl)propan-2-amine?
The IUPAC name of 1-(5-cyclobutyl-1-ethylpyrazol-3-yl)propan-2-amine (CID 105461054) is 1-(5-cyclobutyl-1-ethylpyrazol-3-yl)propan-2-amine.
What is the SMILES notation for 1-(5-cyclobutyl-1-ethylpyrazol-3-yl)propan-2-amine?
The canonical SMILES for 1-(5-cyclobutyl-1-ethylpyrazol-3-yl)propan-2-amine is CCn1nc(CC(C)N)cc1C1CCC1.
What is the InChIKey of 1-(5-cyclobutyl-1-ethylpyrazol-3-yl)propan-2-amine?
The InChIKey is FYKUFFVFODDIGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-3-15-12(10-5-4-6-10)8-11(14-15)7-9(2)13/h8-10H,3-7,13H2,1-2H3.
What are the key properties of 1-(5-cyclobutyl-1-ethylpyrazol-3-yl)propan-2-amine?
1-(5-cyclobutyl-1-ethylpyrazol-3-yl)propan-2-amine has a molecular weight of 207.32 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-cyclobutyl-1-ethylpyrazol-3-yl)propan-2-amine is sourced from PubChem (CID 105461054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).