1-(3-bicyclo[3.1.0]hexanyl)-2-(1-ethylpyrazol-4-yl)ethanamine

C13H21N3 — CID 115822637

IUPAC1-(3-bicyclo[3.1.0]hexanyl)-2-(1-ethylpyrazol-4-yl)ethanamine
SMILESCCn1cc(CC(N)C2CC3CC3C2)cn1
InChIInChI=1S/C13H21N3/c1-2-16-8-9(7-15-16)3-13(14)12-5-10-4-11(10)6-12/h7-8,10-13H,2-6,14H2,1H3
InChIKeyOFBWKRVVNDHIDO-UHFFFAOYSA-N
MW219.33 g/mol
LogP1.82
Rot. Bonds4

About 1-(3-bicyclo[3.1.0]hexanyl)-2-(1-ethylpyrazol-4-yl)ethanamine

1-(3-bicyclo[3.1.0]hexanyl)-2-(1-ethylpyrazol-4-yl)ethanamine (PubChem CID 115822637) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is 1-(3-bicyclo[3.1.0]hexanyl)-2-(1-ethylpyrazol-4-yl)ethanamine.

Molecular Properties

Compound Name1-(3-bicyclo[3.1.0]hexanyl)-2-(1-ethylpyrazol-4-yl)ethanamine
PubChem CID115822637
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name1-(3-bicyclo[3.1.0]hexanyl)-2-(1-ethylpyrazol-4-yl)ethanamine
SMILESCCn1cc(CC(N)C2CC3CC3C2)cn1
InChIInChI=1S/C13H21N3/c1-2-16-8-9(7-15-16)3-13(14)12-5-10-4-11(10)6-12/h7-8,10-13H,2-6,14H2,1H3
InChIKeyOFBWKRVVNDHIDO-UHFFFAOYSA-N
XLogP1.82
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-ethylcyclohexyl)-2-(1-ethylpyrazol-4-yl)ethanamine
CID 65392490
1-(2,2-dimethylcyclopropyl)-2-(1-ethylpyrazol-4-yl)ethanamine
CID 107004225
2-amino-3-(1-ethylpyrazol-4-yl)propan-1-ol
CID 64571799
1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-(1-ethylpyrazol-4-yl)ethanol
CID 115780530
1-(4-ethylmorpholin-2-yl)-2-(1-ethylpyrazol-4-yl)ethanamine
CID 79666951
1-(3-bicyclo[3.1.0]hexanyl)-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103029830
2-(1-ethylpyrazol-4-yl)-1-(2-methylcyclopropyl)ethanol
CID 65420821
2-[(1-ethylpyrazol-4-yl)methyl]butan-1-amine
CID 62505904
2-(1-ethylpyrazol-4-yl)-1-(1-methylcyclopentyl)ethanamine
CID 115822094
[1-cyclobutyl-3-(1-ethylpyrazol-4-yl)propan-2-yl]hydrazine
CID 103170429
1-(1-ethylpyrazol-4-yl)-4-methylhexan-2-amine
CID 115822655
2-(1-ethylpyrazol-4-yl)-1-pyrimidin-2-ylethanamine
CID 62126098

Frequently Asked Questions

What is the IUPAC name of 1-(3-bicyclo[3.1.0]hexanyl)-2-(1-ethylpyrazol-4-yl)ethanamine?
The IUPAC name of 1-(3-bicyclo[3.1.0]hexanyl)-2-(1-ethylpyrazol-4-yl)ethanamine (CID 115822637) is 1-(3-bicyclo[3.1.0]hexanyl)-2-(1-ethylpyrazol-4-yl)ethanamine.
What is the SMILES notation for 1-(3-bicyclo[3.1.0]hexanyl)-2-(1-ethylpyrazol-4-yl)ethanamine?
The canonical SMILES for 1-(3-bicyclo[3.1.0]hexanyl)-2-(1-ethylpyrazol-4-yl)ethanamine is CCn1cc(CC(N)C2CC3CC3C2)cn1.
What is the InChIKey of 1-(3-bicyclo[3.1.0]hexanyl)-2-(1-ethylpyrazol-4-yl)ethanamine?
The InChIKey is OFBWKRVVNDHIDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-2-16-8-9(7-15-16)3-13(14)12-5-10-4-11(10)6-12/h7-8,10-13H,2-6,14H2,1H3.
What are the key properties of 1-(3-bicyclo[3.1.0]hexanyl)-2-(1-ethylpyrazol-4-yl)ethanamine?
1-(3-bicyclo[3.1.0]hexanyl)-2-(1-ethylpyrazol-4-yl)ethanamine has a molecular weight of 219.33 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bicyclo[3.1.0]hexanyl)-2-(1-ethylpyrazol-4-yl)ethanamine is sourced from PubChem (CID 115822637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).