N-[[2-[(1,3-diethylpyrazol-5-yl)methyl]cyclobutyl]methyl]ethanamine

C15H27N3 — CID 81018330

IUPACN-[[2-[(1,3-diethylpyrazol-5-yl)methyl]cyclobutyl]methyl]ethanamine
SMILESCCNCC1CCC1Cc1cc(CC)nn1CC
InChIInChI=1S/C15H27N3/c1-4-14-10-15(18(6-3)17-14)9-12-7-8-13(12)11-16-5-2/h10,12-13,16H,4-9,11H2,1-3H3
InChIKeyPKFIRACIRGOSKB-UHFFFAOYSA-N
MW249.40 g/mol
LogP2.64
Rot. Bonds7

About N-[[2-[(1,3-diethylpyrazol-5-yl)methyl]cyclobutyl]methyl]ethanamine

N-[[2-[(1,3-diethylpyrazol-5-yl)methyl]cyclobutyl]methyl]ethanamine (PubChem CID 81018330) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is N-[[2-[(1,3-diethylpyrazol-5-yl)methyl]cyclobutyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-[(1,3-diethylpyrazol-5-yl)methyl]cyclobutyl]methyl]ethanamine
PubChem CID81018330
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC NameN-[[2-[(1,3-diethylpyrazol-5-yl)methyl]cyclobutyl]methyl]ethanamine
SMILESCCNCC1CCC1Cc1cc(CC)nn1CC
InChIInChI=1S/C15H27N3/c1-4-14-10-15(18(6-3)17-14)9-12-7-8-13(12)11-16-5-2/h10,12-13,16H,4-9,11H2,1-3H3
InChIKeyPKFIRACIRGOSKB-UHFFFAOYSA-N
XLogP2.64
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[(1,3-diethylpyrazol-5-yl)methyl]cyclobutyl]-N-methylmethanamine
CID 81016860
N-[[2-[(1,3-diethylpyrazol-5-yl)methyl]cyclobutyl]methyl]cyclopropanamine
CID 81017024
N-[[2-[(1,3-diethylpyrazol-5-yl)methyl]cyclopentyl]methyl]cyclopropanamine
CID 81033085
N-[[2-[(2-ethyl-5-methylpyrazol-3-yl)methyl]cyclobutyl]methyl]cyclopropanamine
CID 81017649
2-[(1,3-diethylpyrazol-5-yl)methyl]-4,4-dimethylcyclohexan-1-amine
CID 81013040
N-[[2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]cyclohexyl]methyl]-2-methylpropan-1-amine
CID 81027589
2-[(1,3-diethylpyrazol-5-yl)methyl]cyclohexane-1-carboxylic acid
CID 81008075
2-cyclopropyl-3-(1,3-diethylpyrazol-5-yl)-N-ethyl-2-methylpropan-1-amine
CID 83160038
2-cyclopentyl-3-(1,3-diethylpyrazol-5-yl)-N-ethylpropan-1-amine
CID 115926572
N-[(1,3-diethylpyrazol-5-yl)methyl]-1-(2,2-dimethylcyclopropyl)methanamine
CID 114108034
3-[(1,3-diethylpyrazol-5-yl)methyl]pyrrolidin-2-one
CID 104679348
4-[(1,3-diethylpyrazol-5-yl)methyl]-2,6-dimethylpiperidine
CID 114272276

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(1,3-diethylpyrazol-5-yl)methyl]cyclobutyl]methyl]ethanamine?
The IUPAC name of N-[[2-[(1,3-diethylpyrazol-5-yl)methyl]cyclobutyl]methyl]ethanamine (CID 81018330) is N-[[2-[(1,3-diethylpyrazol-5-yl)methyl]cyclobutyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-[(1,3-diethylpyrazol-5-yl)methyl]cyclobutyl]methyl]ethanamine?
The canonical SMILES for N-[[2-[(1,3-diethylpyrazol-5-yl)methyl]cyclobutyl]methyl]ethanamine is CCNCC1CCC1Cc1cc(CC)nn1CC.
What is the InChIKey of N-[[2-[(1,3-diethylpyrazol-5-yl)methyl]cyclobutyl]methyl]ethanamine?
The InChIKey is PKFIRACIRGOSKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-4-14-10-15(18(6-3)17-14)9-12-7-8-13(12)11-16-5-2/h10,12-13,16H,4-9,11H2,1-3H3.
What are the key properties of N-[[2-[(1,3-diethylpyrazol-5-yl)methyl]cyclobutyl]methyl]ethanamine?
N-[[2-[(1,3-diethylpyrazol-5-yl)methyl]cyclobutyl]methyl]ethanamine has a molecular weight of 249.40 g/mol, XLogP of 2.64, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(1,3-diethylpyrazol-5-yl)methyl]cyclobutyl]methyl]ethanamine is sourced from PubChem (CID 81018330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).