N-[[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]methyl]-2-methoxyethanamine

C11H21ClN4O — CID 114652225

IUPACN-[[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1c(Cl)cnn1CCN(C)C
InChIInChI=1S/C11H21ClN4O/c1-15(2)5-6-16-11(10(12)8-14-16)9-13-4-7-17-3/h8,13H,4-7,9H2,1-3H3
InChIKeyHMPJPWRTAIDHTM-UHFFFAOYSA-N
MW260.77 g/mol
LogP0.83
Rot. Bonds8

About N-[[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]methyl]-2-methoxyethanamine

N-[[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]methyl]-2-methoxyethanamine (PubChem CID 114652225) has the molecular formula C11H21ClN4O and a molecular weight of 260.77 g/mol. Its IUPAC name is N-[[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]methyl]-2-methoxyethanamine
PubChem CID114652225
Molecular FormulaC11H21ClN4O
Molecular Weight260.77 g/mol
Exact Mass260.14
IUPAC NameN-[[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1c(Cl)cnn1CCN(C)C
InChIInChI=1S/C11H21ClN4O/c1-15(2)5-6-16-11(10(12)8-14-16)9-13-4-7-17-3/h8,13H,4-7,9H2,1-3H3
InChIKeyHMPJPWRTAIDHTM-UHFFFAOYSA-N
XLogP0.83
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.77
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-N-(2-methoxyethyl)ethanamine
CID 114662832
N-[(4-chloro-1-propylpyrazol-5-yl)methyl]-2-methoxyethanamine
CID 114652221
3-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-N-(2-methoxyethyl)propan-1-amine
CID 114664032
2-[5-(aminomethyl)-4-chloropyrazol-1-yl]-N,N-dimethylethanamine
CID 114652025
1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-3-methoxypropan-1-one
CID 114639468
2-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]acetaldehyde
CID 114662453
4-bromo-2-[2-(dimethylamino)ethyl]-5-[2-(2-methoxyethylamino)ethylamino]pyridazin-3-one
CID 114447121
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
3-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-methylpropanal
CID 114663637
3-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-N-(2-methoxyethyl)butan-2-amine
CID 114663040
1-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-3-[3-(dimethylamino)propyl]thiourea
CID 19327050

Frequently Asked Questions

What is the IUPAC name of N-[[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]methyl]-2-methoxyethanamine (CID 114652225) is N-[[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]methyl]-2-methoxyethanamine is COCCNCc1c(Cl)cnn1CCN(C)C.
What is the InChIKey of N-[[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]methyl]-2-methoxyethanamine?
The InChIKey is HMPJPWRTAIDHTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21ClN4O/c1-15(2)5-6-16-11(10(12)8-14-16)9-13-4-7-17-3/h8,13H,4-7,9H2,1-3H3.
What are the key properties of N-[[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]methyl]-2-methoxyethanamine?
N-[[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]methyl]-2-methoxyethanamine has a molecular weight of 260.77 g/mol, XLogP of 0.83, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 114652225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).