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

C16H27N3 — CID 81017024

IUPACN-[[2-[(1,3-diethylpyrazol-5-yl)methyl]cyclobutyl]methyl]cyclopropanamine
SMILESCCc1cc(CC2CCC2CNC2CC2)n(CC)n1
InChIInChI=1S/C16H27N3/c1-3-14-10-16(19(4-2)18-14)9-12-5-6-13(12)11-17-15-7-8-15/h10,12-13,15,17H,3-9,11H2,1-2H3
InChIKeyNQENJNYWLMGQDF-UHFFFAOYSA-N
MW261.41 g/mol
LogP2.79
Rot. Bonds7

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

N-[[2-[(1,3-diethylpyrazol-5-yl)methyl]cyclobutyl]methyl]cyclopropanamine (PubChem CID 81017024) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is N-[[2-[(1,3-diethylpyrazol-5-yl)methyl]cyclobutyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-[(1,3-diethylpyrazol-5-yl)methyl]cyclobutyl]methyl]cyclopropanamine
PubChem CID81017024
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC NameN-[[2-[(1,3-diethylpyrazol-5-yl)methyl]cyclobutyl]methyl]cyclopropanamine
SMILESCCc1cc(CC2CCC2CNC2CC2)n(CC)n1
InChIInChI=1S/C16H27N3/c1-3-14-10-16(19(4-2)18-14)9-12-5-6-13(12)11-17-15-7-8-15/h10,12-13,15,17H,3-9,11H2,1-2H3
InChIKeyNQENJNYWLMGQDF-UHFFFAOYSA-N
XLogP2.79
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-[(1,3-diethylpyrazol-5-yl)methyl]cyclopentyl]methyl]cyclopropanamine
CID 81033085
1-[2-[(1,3-diethylpyrazol-5-yl)methyl]cyclobutyl]-N-methylmethanamine
CID 81016860
N-[[2-[(1,3-diethylpyrazol-5-yl)methyl]cyclobutyl]methyl]ethanamine
CID 81018330
N-[[2-[(2-ethyl-5-methylpyrazol-3-yl)methyl]cyclobutyl]methyl]cyclopropanamine
CID 81017649
N-[[2-(3,5-diethylpyrazol-1-yl)cyclobutyl]methyl]cyclopropanamine
CID 82693803
N-[4-(1,3-diethylpyrazol-5-yl)-3-methylbutyl]cyclopropanamine
CID 81018717
4-(cyclopropylamino)-1-(1,3-diethylpyrazol-5-yl)butan-2-one
CID 116559398
2-[(1,3-diethylpyrazol-5-yl)methyl]cyclohexane-1-carboxylic acid
CID 81008075
2-[(1,3-diethylpyrazol-5-yl)methyl]-4,4-dimethylcyclohexan-1-amine
CID 81013040
N-[[2-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]cyclopentyl]methyl]cyclopropanamine
CID 81027132
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]cyclopropanamine?
The IUPAC name of N-[[2-[(1,3-diethylpyrazol-5-yl)methyl]cyclobutyl]methyl]cyclopropanamine (CID 81017024) is N-[[2-[(1,3-diethylpyrazol-5-yl)methyl]cyclobutyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-[(1,3-diethylpyrazol-5-yl)methyl]cyclobutyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-[(1,3-diethylpyrazol-5-yl)methyl]cyclobutyl]methyl]cyclopropanamine is CCc1cc(CC2CCC2CNC2CC2)n(CC)n1.
What is the InChIKey of N-[[2-[(1,3-diethylpyrazol-5-yl)methyl]cyclobutyl]methyl]cyclopropanamine?
The InChIKey is NQENJNYWLMGQDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-3-14-10-16(19(4-2)18-14)9-12-5-6-13(12)11-17-15-7-8-15/h10,12-13,15,17H,3-9,11H2,1-2H3.
What are the key properties of N-[[2-[(1,3-diethylpyrazol-5-yl)methyl]cyclobutyl]methyl]cyclopropanamine?
N-[[2-[(1,3-diethylpyrazol-5-yl)methyl]cyclobutyl]methyl]cyclopropanamine has a molecular weight of 261.41 g/mol, XLogP of 2.79, 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]cyclopropanamine is sourced from PubChem (CID 81017024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).