2-cyclobutyl-1-(3-ethyl-1-methylpyrazol-4-yl)-N-methylethanamine

C13H23N3 — CID 102812422

IUPAC2-cyclobutyl-1-(3-ethyl-1-methylpyrazol-4-yl)-N-methylethanamine
SMILESCCc1nn(C)cc1C(CC1CCC1)NC
InChIInChI=1S/C13H23N3/c1-4-12-11(9-16(3)15-12)13(14-2)8-10-6-5-7-10/h9-10,13-14H,4-8H2,1-3H3
InChIKeyLJSYSLJMYFQODN-UHFFFAOYSA-N
MW221.35 g/mol
LogP2.43
Rot. Bonds5

About 2-cyclobutyl-1-(3-ethyl-1-methylpyrazol-4-yl)-N-methylethanamine

2-cyclobutyl-1-(3-ethyl-1-methylpyrazol-4-yl)-N-methylethanamine (PubChem CID 102812422) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 2-cyclobutyl-1-(3-ethyl-1-methylpyrazol-4-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-cyclobutyl-1-(3-ethyl-1-methylpyrazol-4-yl)-N-methylethanamine
PubChem CID102812422
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name2-cyclobutyl-1-(3-ethyl-1-methylpyrazol-4-yl)-N-methylethanamine
SMILESCCc1nn(C)cc1C(CC1CCC1)NC
InChIInChI=1S/C13H23N3/c1-4-12-11(9-16(3)15-12)13(14-2)8-10-6-5-7-10/h9-10,13-14H,4-8H2,1-3H3
InChIKeyLJSYSLJMYFQODN-UHFFFAOYSA-N
XLogP2.43
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclohexyl-1-(3-ethyl-1-methylpyrazol-4-yl)-N-methylmethanamine
CID 102811927
1-(3-ethyl-1-methylpyrazol-4-yl)-N,4-dimethylpentan-1-amine
CID 102812156
1-(3-ethyl-1-methylpyrazol-4-yl)-N-methyl-1-(oxan-3-yl)methanamine
CID 107139176
2-(cyclopropylamino)-2-(3-ethyl-1-methylpyrazol-4-yl)ethanol
CID 112670719
1-(3-ethyl-1-methylpyrazol-4-yl)-N-methylpent-3-yn-1-amine
CID 102812096
[(4-ethylcyclohexyl)-(3-ethyl-1-methylpyrazol-4-yl)methyl]hydrazine
CID 102813126
1-(3-ethyl-1-methylpyrazol-4-yl)-N-methyl-2-(1-methylpyrazol-3-yl)ethanamine
CID 102812738
N-[cyclohexyl-(3-ethyl-1-methylpyrazol-4-yl)methyl]ethanamine
CID 102811928
methyl 3-(3-ethyl-1-methylpyrazol-4-yl)-3-(methylamino)propanoate
CID 112671468
1-(3-ethyl-1-methylpyrazol-4-yl)-N-methyloct-7-en-1-amine
CID 107011544
[(3-ethyl-1-methylpyrazol-4-yl)-(4-methylcyclohexyl)methyl]hydrazine
CID 102813120
1-(3-ethyl-1-methylpyrazol-4-yl)-2-(5-ethyl-2-pyridinyl)-N-methylethanamine
CID 102812652

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-1-(3-ethyl-1-methylpyrazol-4-yl)-N-methylethanamine?
The IUPAC name of 2-cyclobutyl-1-(3-ethyl-1-methylpyrazol-4-yl)-N-methylethanamine (CID 102812422) is 2-cyclobutyl-1-(3-ethyl-1-methylpyrazol-4-yl)-N-methylethanamine.
What is the SMILES notation for 2-cyclobutyl-1-(3-ethyl-1-methylpyrazol-4-yl)-N-methylethanamine?
The canonical SMILES for 2-cyclobutyl-1-(3-ethyl-1-methylpyrazol-4-yl)-N-methylethanamine is CCc1nn(C)cc1C(CC1CCC1)NC.
What is the InChIKey of 2-cyclobutyl-1-(3-ethyl-1-methylpyrazol-4-yl)-N-methylethanamine?
The InChIKey is LJSYSLJMYFQODN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-4-12-11(9-16(3)15-12)13(14-2)8-10-6-5-7-10/h9-10,13-14H,4-8H2,1-3H3.
What are the key properties of 2-cyclobutyl-1-(3-ethyl-1-methylpyrazol-4-yl)-N-methylethanamine?
2-cyclobutyl-1-(3-ethyl-1-methylpyrazol-4-yl)-N-methylethanamine has a molecular weight of 221.35 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-1-(3-ethyl-1-methylpyrazol-4-yl)-N-methylethanamine is sourced from PubChem (CID 102812422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).