1-(7-bicyclo[4.1.0]heptanyl)-2-(4-chloro-1,3-diethylpyrazol-5-yl)ethanamine

C16H26ClN3 — CID 105001490

IUPAC1-(7-bicyclo[4.1.0]heptanyl)-2-(4-chloro-1,3-diethylpyrazol-5-yl)ethanamine
SMILESCCc1nn(CC)c(CC(N)C2C3CCCCC32)c1Cl
InChIInChI=1S/C16H26ClN3/c1-3-13-16(17)14(20(4-2)19-13)9-12(18)15-10-7-5-6-8-11(10)15/h10-12,15H,3-9,18H2,1-2H3
InChIKeyOKPYQAUDVVZVNZ-UHFFFAOYSA-N
MW295.86 g/mol
LogP3.42
Rot. Bonds5

About 1-(7-bicyclo[4.1.0]heptanyl)-2-(4-chloro-1,3-diethylpyrazol-5-yl)ethanamine

1-(7-bicyclo[4.1.0]heptanyl)-2-(4-chloro-1,3-diethylpyrazol-5-yl)ethanamine (PubChem CID 105001490) has the molecular formula C16H26ClN3 and a molecular weight of 295.86 g/mol. Its IUPAC name is 1-(7-bicyclo[4.1.0]heptanyl)-2-(4-chloro-1,3-diethylpyrazol-5-yl)ethanamine.

Molecular Properties

Compound Name1-(7-bicyclo[4.1.0]heptanyl)-2-(4-chloro-1,3-diethylpyrazol-5-yl)ethanamine
PubChem CID105001490
Molecular FormulaC16H26ClN3
Molecular Weight295.86 g/mol
Exact Mass295.18
IUPAC Name1-(7-bicyclo[4.1.0]heptanyl)-2-(4-chloro-1,3-diethylpyrazol-5-yl)ethanamine
SMILESCCc1nn(CC)c(CC(N)C2C3CCCCC32)c1Cl
InChIInChI=1S/C16H26ClN3/c1-3-13-16(17)14(20(4-2)19-13)9-12(18)15-10-7-5-6-8-11(10)15/h10-12,15H,3-9,18H2,1-2H3
InChIKeyOKPYQAUDVVZVNZ-UHFFFAOYSA-N
XLogP3.42
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.86
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(thiolan-3-yl)ethanamine
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5-(3-bromo-2-cyclopentylpropyl)-4-chloro-1,3-diethylpyrazole
CID 112570654
3-(4-chloro-1,3-diethylpyrazol-5-yl)-1,1-diethoxypropan-2-amine
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1-(4-chloro-1,3-diethylpyrazol-5-yl)-3-N,3-N,3-trimethylpentane-2,3-diamine
CID 79062885
1-(4-chloro-1,3-diethylpyrazol-5-yl)-4-(oxan-2-yl)butan-2-amine
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2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-cyclooctylethanamine
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2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(3,5-dichlorophenyl)ethanamine
CID 105001430
3-(4-chloro-1,3-diethylpyrazol-5-yl)-2-cyclopentyl-N-ethylpropan-1-amine
CID 115926580
2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-piperidin-2-ylethanol
CID 106634560
1-(4-chloro-1,3-diethylpyrazol-5-yl)-3-cyclopropyl-N-propylbutan-2-amine
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1-(4-chloro-1,3-diethylpyrazol-5-yl)-3-methoxybutan-2-amine
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Frequently Asked Questions

What is the IUPAC name of 1-(7-bicyclo[4.1.0]heptanyl)-2-(4-chloro-1,3-diethylpyrazol-5-yl)ethanamine?
The IUPAC name of 1-(7-bicyclo[4.1.0]heptanyl)-2-(4-chloro-1,3-diethylpyrazol-5-yl)ethanamine (CID 105001490) is 1-(7-bicyclo[4.1.0]heptanyl)-2-(4-chloro-1,3-diethylpyrazol-5-yl)ethanamine.
What is the SMILES notation for 1-(7-bicyclo[4.1.0]heptanyl)-2-(4-chloro-1,3-diethylpyrazol-5-yl)ethanamine?
The canonical SMILES for 1-(7-bicyclo[4.1.0]heptanyl)-2-(4-chloro-1,3-diethylpyrazol-5-yl)ethanamine is CCc1nn(CC)c(CC(N)C2C3CCCCC32)c1Cl.
What is the InChIKey of 1-(7-bicyclo[4.1.0]heptanyl)-2-(4-chloro-1,3-diethylpyrazol-5-yl)ethanamine?
The InChIKey is OKPYQAUDVVZVNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClN3/c1-3-13-16(17)14(20(4-2)19-13)9-12(18)15-10-7-5-6-8-11(10)15/h10-12,15H,3-9,18H2,1-2H3.
What are the key properties of 1-(7-bicyclo[4.1.0]heptanyl)-2-(4-chloro-1,3-diethylpyrazol-5-yl)ethanamine?
1-(7-bicyclo[4.1.0]heptanyl)-2-(4-chloro-1,3-diethylpyrazol-5-yl)ethanamine has a molecular weight of 295.86 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-bicyclo[4.1.0]heptanyl)-2-(4-chloro-1,3-diethylpyrazol-5-yl)ethanamine is sourced from PubChem (CID 105001490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).