N-[1-(6-bicyclo[3.1.0]hexanyl)-2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)ethyl]propan-1-amine

C17H28ClN3 — CID 104998697

IUPACN-[1-(6-bicyclo[3.1.0]hexanyl)-2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1c(Cl)c(C)nn1CC)C1C2CCCC21
InChIInChI=1S/C17H28ClN3/c1-4-9-19-14(16-12-7-6-8-13(12)16)10-15-17(18)11(3)20-21(15)5-2/h12-14,16,19H,4-10H2,1-3H3
InChIKeyKEUXUZGUFVQLPG-UHFFFAOYSA-N
MW309.88 g/mol
LogP3.82
Rot. Bonds7

About N-[1-(6-bicyclo[3.1.0]hexanyl)-2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)ethyl]propan-1-amine

N-[1-(6-bicyclo[3.1.0]hexanyl)-2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)ethyl]propan-1-amine (PubChem CID 104998697) has the molecular formula C17H28ClN3 and a molecular weight of 309.88 g/mol. Its IUPAC name is N-[1-(6-bicyclo[3.1.0]hexanyl)-2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(6-bicyclo[3.1.0]hexanyl)-2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)ethyl]propan-1-amine
PubChem CID104998697
Molecular FormulaC17H28ClN3
Molecular Weight309.88 g/mol
Exact Mass309.20
IUPAC NameN-[1-(6-bicyclo[3.1.0]hexanyl)-2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1c(Cl)c(C)nn1CC)C1C2CCCC21
InChIInChI=1S/C17H28ClN3/c1-4-9-19-14(16-12-7-6-8-13(12)16)10-15-17(18)11(3)20-21(15)5-2/h12-14,16,19H,4-10H2,1-3H3
InChIKeyKEUXUZGUFVQLPG-UHFFFAOYSA-N
XLogP3.82
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.88
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(2-methylcyclopentyl)ethyl]propan-1-amine
CID 107189541
2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-N-methyl-1-(2,2,3,3-tetramethylcyclopropyl)ethanamine
CID 104998803
2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-N-methyl-1-(5-methyloxolan-2-yl)ethanamine
CID 104998654
N-[[2-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]cyclohexyl]methyl]propan-1-amine
CID 81026860
[2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(5-methyloxolan-2-yl)ethyl]hydrazine
CID 105317017
N-[1-(6-bicyclo[3.1.0]hexanyl)-2-(5-fluoro-2-methylphenyl)ethyl]propan-1-amine
CID 105377335
N-[2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(3-chlorothiophen-2-yl)ethyl]propan-1-amine
CID 104998837
N-[1-(6-bicyclo[3.1.0]hexanyl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethyl]propan-1-amine
CID 104999026
3-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-N-ethyl-1,1-dimethoxypropan-2-amine
CID 79492047
1-(4-chloro-1,3-diethylpyrazol-5-yl)-3-cyclopropyl-N-propylbutan-2-amine
CID 105001487
N-[2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(2-methyloxolan-3-yl)ethyl]propan-1-amine
CID 104998263
[3-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1,1-difluoropropan-2-yl]hydrazine
CID 105264979

Frequently Asked Questions

What is the IUPAC name of N-[1-(6-bicyclo[3.1.0]hexanyl)-2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(6-bicyclo[3.1.0]hexanyl)-2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)ethyl]propan-1-amine (CID 104998697) is N-[1-(6-bicyclo[3.1.0]hexanyl)-2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(6-bicyclo[3.1.0]hexanyl)-2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(6-bicyclo[3.1.0]hexanyl)-2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)ethyl]propan-1-amine is CCCNC(Cc1c(Cl)c(C)nn1CC)C1C2CCCC21.
What is the InChIKey of N-[1-(6-bicyclo[3.1.0]hexanyl)-2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)ethyl]propan-1-amine?
The InChIKey is KEUXUZGUFVQLPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28ClN3/c1-4-9-19-14(16-12-7-6-8-13(12)16)10-15-17(18)11(3)20-21(15)5-2/h12-14,16,19H,4-10H2,1-3H3.
What are the key properties of N-[1-(6-bicyclo[3.1.0]hexanyl)-2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)ethyl]propan-1-amine?
N-[1-(6-bicyclo[3.1.0]hexanyl)-2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)ethyl]propan-1-amine has a molecular weight of 309.88 g/mol, XLogP of 3.82, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6-bicyclo[3.1.0]hexanyl)-2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)ethyl]propan-1-amine is sourced from PubChem (CID 104998697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).