2-ethyl-2-[(1-ethylpyrazol-4-yl)methyl]azepane

C14H25N3 — CID 79117010

IUPAC2-ethyl-2-[(1-ethylpyrazol-4-yl)methyl]azepane
SMILESCCn1cc(CC2(CC)CCCCCN2)cn1
InChIInChI=1S/C14H25N3/c1-3-14(8-6-5-7-9-15-14)10-13-11-16-17(4-2)12-13/h11-12,15H,3-10H2,1-2H3
InChIKeyMZRMRMKUNSMFNO-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.76
Rot. Bonds4

About 2-ethyl-2-[(1-ethylpyrazol-4-yl)methyl]azepane

2-ethyl-2-[(1-ethylpyrazol-4-yl)methyl]azepane (PubChem CID 79117010) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is 2-ethyl-2-[(1-ethylpyrazol-4-yl)methyl]azepane.

Molecular Properties

Compound Name2-ethyl-2-[(1-ethylpyrazol-4-yl)methyl]azepane
PubChem CID79117010
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC Name2-ethyl-2-[(1-ethylpyrazol-4-yl)methyl]azepane
SMILESCCn1cc(CC2(CC)CCCCCN2)cn1
InChIInChI=1S/C14H25N3/c1-3-14(8-6-5-7-9-15-14)10-13-11-16-17(4-2)12-13/h11-12,15H,3-10H2,1-2H3
InChIKeyMZRMRMKUNSMFNO-UHFFFAOYSA-N
XLogP2.76
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-2-[(4-methylphenyl)methyl]piperidine
CID 115058967
2-(1-ethylpyrazol-4-yl)-2-propan-2-ylazepane
CID 79117229
2-[(1,3-diethylpyrazol-5-yl)methyl]-2-ethylazepane
CID 79117007
1-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]cyclobutan-1-amine
CID 115673834
N-[[1-[(1-ethylpyrazol-4-yl)methyl]cyclobutyl]methyl]ethanamine
CID 65194929
N-[(1-ethylcyclopentyl)methyl]-1-(1-ethylpyrazol-4-yl)methanamine
CID 103766160
1-(1-ethylpyrazol-4-yl)-N-[(1-methylcyclohexyl)methyl]methanamine
CID 103753080
1-ethyl-4-[(3-methylazetidin-3-yl)methyl]pyrazole
CID 79452025
1-ethyl-2-[(2-ethylazepan-2-yl)methyl]benzimidazole
CID 79757203
N-[[1-[(1-ethylpyrazol-4-yl)methyl]cyclohexyl]methyl]-2-methoxyethanamine
CID 62724381
N-[[1-[(1-ethylpyrazol-4-yl)methyl]cyclobutyl]methyl]propan-2-amine
CID 65194328
1-[(1-ethylpyrazol-4-yl)methyl]-4,4-dimethylcycloheptan-1-amine
CID 65083823

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[(1-ethylpyrazol-4-yl)methyl]azepane?
The IUPAC name of 2-ethyl-2-[(1-ethylpyrazol-4-yl)methyl]azepane (CID 79117010) is 2-ethyl-2-[(1-ethylpyrazol-4-yl)methyl]azepane.
What is the SMILES notation for 2-ethyl-2-[(1-ethylpyrazol-4-yl)methyl]azepane?
The canonical SMILES for 2-ethyl-2-[(1-ethylpyrazol-4-yl)methyl]azepane is CCn1cc(CC2(CC)CCCCCN2)cn1.
What is the InChIKey of 2-ethyl-2-[(1-ethylpyrazol-4-yl)methyl]azepane?
The InChIKey is MZRMRMKUNSMFNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-3-14(8-6-5-7-9-15-14)10-13-11-16-17(4-2)12-13/h11-12,15H,3-10H2,1-2H3.
What are the key properties of 2-ethyl-2-[(1-ethylpyrazol-4-yl)methyl]azepane?
2-ethyl-2-[(1-ethylpyrazol-4-yl)methyl]azepane has a molecular weight of 235.37 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[(1-ethylpyrazol-4-yl)methyl]azepane is sourced from PubChem (CID 79117010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).