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

C8H15ClN4 — CID 114652025

IUPAC2-[5-(aminomethyl)-4-chloropyrazol-1-yl]-N,N-dimethylethanamine
SMILESCN(C)CCn1ncc(Cl)c1CN
InChIInChI=1S/C8H15ClN4/c1-12(2)3-4-13-8(5-10)7(9)6-11-13/h6H,3-5,10H2,1-2H3
InChIKeyRRJOQTTZCFDRDW-UHFFFAOYSA-N
MW202.69 g/mol
LogP0.56
Rot. Bonds4

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

2-[5-(aminomethyl)-4-chloropyrazol-1-yl]-N,N-dimethylethanamine (PubChem CID 114652025) has the molecular formula C8H15ClN4 and a molecular weight of 202.69 g/mol. Its IUPAC name is 2-[5-(aminomethyl)-4-chloropyrazol-1-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[5-(aminomethyl)-4-chloropyrazol-1-yl]-N,N-dimethylethanamine
PubChem CID114652025
Molecular FormulaC8H15ClN4
Molecular Weight202.69 g/mol
Exact Mass202.10
IUPAC Name2-[5-(aminomethyl)-4-chloropyrazol-1-yl]-N,N-dimethylethanamine
SMILESCN(C)CCn1ncc(Cl)c1CN
InChIInChI=1S/C8H15ClN4/c1-12(2)3-4-13-8(5-10)7(9)6-11-13/h6H,3-5,10H2,1-2H3
InChIKeyRRJOQTTZCFDRDW-UHFFFAOYSA-N
XLogP0.56
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.69
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[5-(aminomethyl)-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-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]acetaldehyde
CID 114662453
1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]pentan-3-amine
CID 114663857
4-chloro-1-[2-(dimethylamino)ethyl]pyrazole-5-carbaldehyde
CID 114640197
4-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]butan-2-one
CID 114663500
1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2,2-difluoroethanamine
CID 103517108
1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2,3-dimethylbutan-1-amine
CID 105039130
2-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-1-phenylethanamine
CID 114666392
2-[4-(aminomethyl)-5-propylpyrazol-1-yl]-N,N-dimethylethanamine
CID 66441376
3-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-methylpropanal
CID 114663637
N-[[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]methyl]-2-methoxyethanamine
CID 114652225
2-[5-[2-(aminomethyl)cyclopentyl]-4-chloropyrazol-1-yl]-N,N-dimethylethanamine
CID 114666556
6-amino-1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]hexan-1-one
CID 114668172

Frequently Asked Questions

What is the IUPAC name of 2-[5-(aminomethyl)-4-chloropyrazol-1-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[5-(aminomethyl)-4-chloropyrazol-1-yl]-N,N-dimethylethanamine (CID 114652025) is 2-[5-(aminomethyl)-4-chloropyrazol-1-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[5-(aminomethyl)-4-chloropyrazol-1-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[5-(aminomethyl)-4-chloropyrazol-1-yl]-N,N-dimethylethanamine is CN(C)CCn1ncc(Cl)c1CN.
What is the InChIKey of 2-[5-(aminomethyl)-4-chloropyrazol-1-yl]-N,N-dimethylethanamine?
The InChIKey is RRJOQTTZCFDRDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15ClN4/c1-12(2)3-4-13-8(5-10)7(9)6-11-13/h6H,3-5,10H2,1-2H3.
What are the key properties of 2-[5-(aminomethyl)-4-chloropyrazol-1-yl]-N,N-dimethylethanamine?
2-[5-(aminomethyl)-4-chloropyrazol-1-yl]-N,N-dimethylethanamine has a molecular weight of 202.69 g/mol, XLogP of 0.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(aminomethyl)-4-chloropyrazol-1-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 114652025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).