1-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[(1-methylcyclobutyl)methyl]ethanamine

C15H27N3 — CID 113348764

IUPAC1-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[(1-methylcyclobutyl)methyl]ethanamine
SMILESCCn1nc(C)c(C(C)NCC2(C)CCC2)c1C
InChIInChI=1S/C15H27N3/c1-6-18-13(4)14(12(3)17-18)11(2)16-10-15(5)8-7-9-15/h11,16H,6-10H2,1-5H3
InChIKeyQYAGFTYZROHVDZ-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.36
Rot. Bonds5

About 1-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[(1-methylcyclobutyl)methyl]ethanamine

1-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[(1-methylcyclobutyl)methyl]ethanamine (PubChem CID 113348764) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is 1-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[(1-methylcyclobutyl)methyl]ethanamine.

Molecular Properties

Compound Name1-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[(1-methylcyclobutyl)methyl]ethanamine
PubChem CID113348764
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC Name1-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[(1-methylcyclobutyl)methyl]ethanamine
SMILESCCn1nc(C)c(C(C)NCC2(C)CCC2)c1C
InChIInChI=1S/C15H27N3/c1-6-18-13(4)14(12(3)17-18)11(2)16-10-15(5)8-7-9-15/h11,16H,6-10H2,1-5H3
InChIKeyQYAGFTYZROHVDZ-UHFFFAOYSA-N
XLogP3.36
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-ethylcyclobutyl)methyl]-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethanamine
CID 103788328
1-[[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylamino]methyl]cycloheptan-1-ol
CID 65123003
1-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[(3-methoxyoxolan-3-yl)methyl]ethanamine
CID 104705779
N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-3,3-dimethylbutan-1-amine
CID 115712818
3-ethyl-1-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylamino]pentan-2-ol
CID 103783078
3-cyclopentyl-N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]propan-1-amine
CID 103776522
N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-3-methylsulfanylpropan-1-amine
CID 63980803
3-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylamino]-2,2-dimethylpropan-1-ol
CID 113293722
1-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[(3-methylcyclohexyl)methyl]ethanamine
CID 103778780
1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(1-methylcyclobutyl)methyl]ethanamine
CID 103903159
1-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[2-(1-methylpiperidin-4-yl)ethyl]ethanamine
CID 115717464
N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]hex-5-yn-1-amine
CID 103903590

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[(1-methylcyclobutyl)methyl]ethanamine?
The IUPAC name of 1-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[(1-methylcyclobutyl)methyl]ethanamine (CID 113348764) is 1-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[(1-methylcyclobutyl)methyl]ethanamine.
What is the SMILES notation for 1-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[(1-methylcyclobutyl)methyl]ethanamine?
The canonical SMILES for 1-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[(1-methylcyclobutyl)methyl]ethanamine is CCn1nc(C)c(C(C)NCC2(C)CCC2)c1C.
What is the InChIKey of 1-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[(1-methylcyclobutyl)methyl]ethanamine?
The InChIKey is QYAGFTYZROHVDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-6-18-13(4)14(12(3)17-18)11(2)16-10-15(5)8-7-9-15/h11,16H,6-10H2,1-5H3.
What are the key properties of 1-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[(1-methylcyclobutyl)methyl]ethanamine?
1-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[(1-methylcyclobutyl)methyl]ethanamine has a molecular weight of 249.40 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[(1-methylcyclobutyl)methyl]ethanamine is sourced from PubChem (CID 113348764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).