2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-ethyl-1-(1-methoxycyclobutyl)ethanamine

C14H24ClN3O — CID 116714555

IUPAC2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-ethyl-1-(1-methoxycyclobutyl)ethanamine
SMILESCCNC(Cc1c(C)nn(C)c1Cl)C1(OC)CCC1
InChIInChI=1S/C14H24ClN3O/c1-5-16-12(14(19-4)7-6-8-14)9-11-10(2)17-18(3)13(11)15/h12,16H,5-9H2,1-4H3
InChIKeySXTQKPSOYGWALH-UHFFFAOYSA-N
MW285.82 g/mol
LogP2.47
Rot. Bonds6

About 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-ethyl-1-(1-methoxycyclobutyl)ethanamine

2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-ethyl-1-(1-methoxycyclobutyl)ethanamine (PubChem CID 116714555) has the molecular formula C14H24ClN3O and a molecular weight of 285.82 g/mol. Its IUPAC name is 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-ethyl-1-(1-methoxycyclobutyl)ethanamine.

Molecular Properties

Compound Name2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-ethyl-1-(1-methoxycyclobutyl)ethanamine
PubChem CID116714555
Molecular FormulaC14H24ClN3O
Molecular Weight285.82 g/mol
Exact Mass285.16
IUPAC Name2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-ethyl-1-(1-methoxycyclobutyl)ethanamine
SMILESCCNC(Cc1c(C)nn(C)c1Cl)C1(OC)CCC1
InChIInChI=1S/C14H24ClN3O/c1-5-16-12(14(19-4)7-6-8-14)9-11-10(2)17-18(3)13(11)15/h12,16H,5-9H2,1-4H3
InChIKeySXTQKPSOYGWALH-UHFFFAOYSA-N
XLogP2.47
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.82
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-ethyl-1-(1-methoxycyclobutyl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-1-(1-methoxycyclobutyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine
CID 116714430
N-ethyl-1-(1-methoxycyclopentyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine
CID 104611168
N-ethyl-1-(1-methoxycyclohexyl)-2-(2-methyltetrazol-5-yl)ethanamine
CID 107051120
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-methyl-1-(1-methylcyclohexyl)ethanamine
CID 106830549
1-(7-bicyclo[4.1.0]heptanyl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-ethylethanamine
CID 105034823
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-ethyl-1-(2-methylcyclopentyl)ethanamine
CID 107190783
N-[2-(2,5-dimethylpyrazol-3-yl)-1-(1-methoxycyclobutyl)ethyl]propan-1-amine
CID 116714771
N-ethyl-1-(1-methoxycyclobutyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
CID 116714664
1-[2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-hydrazinylethyl]-N,N-dimethylcyclohexan-1-amine
CID 105243365
1-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-ethyl-3-[(2-methylpropan-2-yl)oxy]propan-2-amine
CID 105180273
N-ethyl-2-(2-ethyl-5-methylpyrazol-3-yl)-1-(1-methoxycyclopentyl)ethanamine
CID 104611319
N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(1-methoxycyclobutyl)ethyl]propan-1-amine
CID 116714793

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-ethyl-1-(1-methoxycyclobutyl)ethanamine?
The IUPAC name of 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-ethyl-1-(1-methoxycyclobutyl)ethanamine (CID 116714555) is 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-ethyl-1-(1-methoxycyclobutyl)ethanamine.
What is the SMILES notation for 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-ethyl-1-(1-methoxycyclobutyl)ethanamine?
The canonical SMILES for 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-ethyl-1-(1-methoxycyclobutyl)ethanamine is CCNC(Cc1c(C)nn(C)c1Cl)C1(OC)CCC1.
What is the InChIKey of 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-ethyl-1-(1-methoxycyclobutyl)ethanamine?
The InChIKey is SXTQKPSOYGWALH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24ClN3O/c1-5-16-12(14(19-4)7-6-8-14)9-11-10(2)17-18(3)13(11)15/h12,16H,5-9H2,1-4H3.
What are the key properties of 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-ethyl-1-(1-methoxycyclobutyl)ethanamine?
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-ethyl-1-(1-methoxycyclobutyl)ethanamine has a molecular weight of 285.82 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-ethyl-1-(1-methoxycyclobutyl)ethanamine is sourced from PubChem (CID 116714555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).