2-[5-[2-(aminomethyl)cyclopentyl]-4-chloropyrazol-1-yl]-N,N-dimethylethanamine

C13H23ClN4 — CID 114666556

IUPAC2-[5-[2-(aminomethyl)cyclopentyl]-4-chloropyrazol-1-yl]-N,N-dimethylethanamine
SMILESCN(C)CCn1ncc(Cl)c1C1CCCC1CN
InChIInChI=1S/C13H23ClN4/c1-17(2)6-7-18-13(12(14)9-16-18)11-5-3-4-10(11)8-15/h9-11H,3-8,15H2,1-2H3
InChIKeyURSVWHHYZOCODO-UHFFFAOYSA-N
MW270.81 g/mol
LogP1.94
Rot. Bonds5

About 2-[5-[2-(aminomethyl)cyclopentyl]-4-chloropyrazol-1-yl]-N,N-dimethylethanamine

2-[5-[2-(aminomethyl)cyclopentyl]-4-chloropyrazol-1-yl]-N,N-dimethylethanamine (PubChem CID 114666556) has the molecular formula C13H23ClN4 and a molecular weight of 270.81 g/mol. Its IUPAC name is 2-[5-[2-(aminomethyl)cyclopentyl]-4-chloropyrazol-1-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[5-[2-(aminomethyl)cyclopentyl]-4-chloropyrazol-1-yl]-N,N-dimethylethanamine
PubChem CID114666556
Molecular FormulaC13H23ClN4
Molecular Weight270.81 g/mol
Exact Mass270.16
IUPAC Name2-[5-[2-(aminomethyl)cyclopentyl]-4-chloropyrazol-1-yl]-N,N-dimethylethanamine
SMILESCN(C)CCn1ncc(Cl)c1C1CCCC1CN
InChIInChI=1S/C13H23ClN4/c1-17(2)6-7-18-13(12(14)9-16-18)11-5-3-4-10(11)8-15/h9-11H,3-8,15H2,1-2H3
InChIKeyURSVWHHYZOCODO-UHFFFAOYSA-N
XLogP1.94
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.81
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[5-[2-(aminomethyl)cyclopentyl]-4-chloropyrazol-1-yl]-N,N-dimethylethanamine 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

2-[5-[2-(aminomethyl)cyclohexyl]-4-bromopyrazol-1-yl]-N,N-dimethylethanamine
CID 114666566
2-(4-chloro-5-piperidin-2-ylpyrazol-1-yl)-N,N-dimethylethanamine
CID 114663137
2-[5-(aminomethyl)-4-chloropyrazol-1-yl]-N,N-dimethylethanamine
CID 114652025
3-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-N-methylcyclopentan-1-amine
CID 114664092
N-[[2-(4-chloro-1-ethylpyrazol-5-yl)cyclohexyl]methyl]cyclopropanamine
CID 114667254
2-[5-[amino-(2-methylcyclopentyl)methyl]-4-chloropyrazol-1-yl]-N,N-dimethylethanamine
CID 107190913
(2-aminocyclohexyl)-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]methanone
CID 114669674
N-[[2-(4-chloro-1-ethylpyrazol-5-yl)cycloheptyl]methyl]cyclopropanamine
CID 114667373
[4-(aminomethyl)cyclohexyl]-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]methanone
CID 114670290
2-[4-chloro-5-(2,3-dihydro-1H-indol-2-yl)pyrazol-1-yl]-N,N-dimethylethanamine
CID 114663397
6-bicyclo[3.1.0]hexanyl-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]methanol
CID 115834227
3-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-2-methylcyclopentan-1-amine
CID 114664710

Frequently Asked Questions

What is the IUPAC name of 2-[5-[2-(aminomethyl)cyclopentyl]-4-chloropyrazol-1-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[5-[2-(aminomethyl)cyclopentyl]-4-chloropyrazol-1-yl]-N,N-dimethylethanamine (CID 114666556) is 2-[5-[2-(aminomethyl)cyclopentyl]-4-chloropyrazol-1-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[5-[2-(aminomethyl)cyclopentyl]-4-chloropyrazol-1-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[5-[2-(aminomethyl)cyclopentyl]-4-chloropyrazol-1-yl]-N,N-dimethylethanamine is CN(C)CCn1ncc(Cl)c1C1CCCC1CN.
What is the InChIKey of 2-[5-[2-(aminomethyl)cyclopentyl]-4-chloropyrazol-1-yl]-N,N-dimethylethanamine?
The InChIKey is URSVWHHYZOCODO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23ClN4/c1-17(2)6-7-18-13(12(14)9-16-18)11-5-3-4-10(11)8-15/h9-11H,3-8,15H2,1-2H3.
What are the key properties of 2-[5-[2-(aminomethyl)cyclopentyl]-4-chloropyrazol-1-yl]-N,N-dimethylethanamine?
2-[5-[2-(aminomethyl)cyclopentyl]-4-chloropyrazol-1-yl]-N,N-dimethylethanamine has a molecular weight of 270.81 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[2-(aminomethyl)cyclopentyl]-4-chloropyrazol-1-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 114666556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).