1-(5-cyclobutyl-1-propan-2-ylpyrazol-3-yl)ethanamine

C12H21N3 — CID 105461057

IUPAC1-(5-cyclobutyl-1-propan-2-ylpyrazol-3-yl)ethanamine
SMILESCC(N)c1cc(C2CCC2)n(C(C)C)n1
InChIInChI=1S/C12H21N3/c1-8(2)15-12(10-5-4-6-10)7-11(14-15)9(3)13/h7-10H,4-6,13H2,1-3H3
InChIKeyWRWKJEZLZIIKPH-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.75
Rot. Bonds3

About 1-(5-cyclobutyl-1-propan-2-ylpyrazol-3-yl)ethanamine

1-(5-cyclobutyl-1-propan-2-ylpyrazol-3-yl)ethanamine (PubChem CID 105461057) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 1-(5-cyclobutyl-1-propan-2-ylpyrazol-3-yl)ethanamine.

Molecular Properties

Compound Name1-(5-cyclobutyl-1-propan-2-ylpyrazol-3-yl)ethanamine
PubChem CID105461057
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name1-(5-cyclobutyl-1-propan-2-ylpyrazol-3-yl)ethanamine
SMILESCC(N)c1cc(C2CCC2)n(C(C)C)n1
InChIInChI=1S/C12H21N3/c1-8(2)15-12(10-5-4-6-10)7-11(14-15)9(3)13/h7-10H,4-6,13H2,1-3H3
InChIKeyWRWKJEZLZIIKPH-UHFFFAOYSA-N
XLogP2.75
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-cyclopentyl-1-ethylpyrazol-3-yl)ethanamine
CID 105461050
1-(5-methyl-1-propan-2-ylpyrazol-3-yl)ethanamine
CID 105433572
1-(1-propan-2-yl-5-propylpyrazol-3-yl)ethanamine
CID 105449463
1-(5-cyclopropyl-1-propan-2-ylpyrazol-3-yl)-N-methylmethanamine
CID 105447514
1-(5-cyclobutyl-1-ethylpyrazol-3-yl)propan-2-amine
CID 105461054
4-(3-ethyl-1-propan-2-ylpyrazol-5-yl)-1-methylpiperidine
CID 123944716
5-chloro-1,3-di(propan-2-yl)pyrazole
CID 66020569
(3S)-3-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]cyclohexan-1-one
CID 168906940
2-(5-cyclopentyl-1-methylpyrazol-3-yl)propanoic acid
CID 105479308
5-cyclohexyl-1-methylpyrazol-3-amine
CID 83696183
1-(2-cyclooctyl-1,3-thiazol-4-yl)ethanamine
CID 80609462
1-tert-butyl-5-cyclobutylpyrazol-3-amine
CID 105447509

Frequently Asked Questions

What is the IUPAC name of 1-(5-cyclobutyl-1-propan-2-ylpyrazol-3-yl)ethanamine?
The IUPAC name of 1-(5-cyclobutyl-1-propan-2-ylpyrazol-3-yl)ethanamine (CID 105461057) is 1-(5-cyclobutyl-1-propan-2-ylpyrazol-3-yl)ethanamine.
What is the SMILES notation for 1-(5-cyclobutyl-1-propan-2-ylpyrazol-3-yl)ethanamine?
The canonical SMILES for 1-(5-cyclobutyl-1-propan-2-ylpyrazol-3-yl)ethanamine is CC(N)c1cc(C2CCC2)n(C(C)C)n1.
What is the InChIKey of 1-(5-cyclobutyl-1-propan-2-ylpyrazol-3-yl)ethanamine?
The InChIKey is WRWKJEZLZIIKPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-8(2)15-12(10-5-4-6-10)7-11(14-15)9(3)13/h7-10H,4-6,13H2,1-3H3.
What are the key properties of 1-(5-cyclobutyl-1-propan-2-ylpyrazol-3-yl)ethanamine?
1-(5-cyclobutyl-1-propan-2-ylpyrazol-3-yl)ethanamine has a molecular weight of 207.32 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-cyclobutyl-1-propan-2-ylpyrazol-3-yl)ethanamine is sourced from PubChem (CID 105461057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).