N-[[5-(4-chloropyrazol-1-yl)-1,3-dimethylpyrazol-4-yl]methyl]-2-methoxyethanamine

C12H18ClN5O — CID 63069807

IUPACN-[[5-(4-chloropyrazol-1-yl)-1,3-dimethylpyrazol-4-yl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1c(C)nn(C)c1-n1cc(Cl)cn1
InChIInChI=1S/C12H18ClN5O/c1-9-11(7-14-4-5-19-3)12(17(2)16-9)18-8-10(13)6-15-18/h6,8,14H,4-5,7H2,1-3H3
InChIKeyUHYGVHWJARVIPB-UHFFFAOYSA-N
MW283.76 g/mol
LogP1.30
Rot. Bonds6

About N-[[5-(4-chloropyrazol-1-yl)-1,3-dimethylpyrazol-4-yl]methyl]-2-methoxyethanamine

N-[[5-(4-chloropyrazol-1-yl)-1,3-dimethylpyrazol-4-yl]methyl]-2-methoxyethanamine (PubChem CID 63069807) has the molecular formula C12H18ClN5O and a molecular weight of 283.76 g/mol. Its IUPAC name is N-[[5-(4-chloropyrazol-1-yl)-1,3-dimethylpyrazol-4-yl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[5-(4-chloropyrazol-1-yl)-1,3-dimethylpyrazol-4-yl]methyl]-2-methoxyethanamine
PubChem CID63069807
Molecular FormulaC12H18ClN5O
Molecular Weight283.76 g/mol
Exact Mass283.12
IUPAC NameN-[[5-(4-chloropyrazol-1-yl)-1,3-dimethylpyrazol-4-yl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1c(C)nn(C)c1-n1cc(Cl)cn1
InChIInChI=1S/C12H18ClN5O/c1-9-11(7-14-4-5-19-3)12(17(2)16-9)18-8-10(13)6-15-18/h6,8,14H,4-5,7H2,1-3H3
InChIKeyUHYGVHWJARVIPB-UHFFFAOYSA-N
XLogP1.30
TPSA56.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[[5-(4-chloropyrazol-1-yl)-1,3-dimethylpyrazol-4-yl]methyl]-2-methoxyethanamine 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

CID 64177094
CID 64177094
CID 64177930
CID 64177930
CID 64179265
CID 64179265
CID 43282057
CID 43282057
CID 43282058
CID 43282058
CID 54909469
CID 54909469
CID 54909470
CID 54909470
CID 54909829
CID 54909829
CID 54909874
CID 54909874
CID 54909875
CID 54909875
CID 54909876
CID 54909876
CID 55044588
CID 55044588

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-chloropyrazol-1-yl)-1,3-dimethylpyrazol-4-yl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[5-(4-chloropyrazol-1-yl)-1,3-dimethylpyrazol-4-yl]methyl]-2-methoxyethanamine (CID 63069807) is N-[[5-(4-chloropyrazol-1-yl)-1,3-dimethylpyrazol-4-yl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[5-(4-chloropyrazol-1-yl)-1,3-dimethylpyrazol-4-yl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[5-(4-chloropyrazol-1-yl)-1,3-dimethylpyrazol-4-yl]methyl]-2-methoxyethanamine is COCCNCc1c(C)nn(C)c1-n1cc(Cl)cn1.
What is the InChIKey of N-[[5-(4-chloropyrazol-1-yl)-1,3-dimethylpyrazol-4-yl]methyl]-2-methoxyethanamine?
The InChIKey is UHYGVHWJARVIPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN5O/c1-9-11(7-14-4-5-19-3)12(17(2)16-9)18-8-10(13)6-15-18/h6,8,14H,4-5,7H2,1-3H3.
What are the key properties of N-[[5-(4-chloropyrazol-1-yl)-1,3-dimethylpyrazol-4-yl]methyl]-2-methoxyethanamine?
N-[[5-(4-chloropyrazol-1-yl)-1,3-dimethylpyrazol-4-yl]methyl]-2-methoxyethanamine has a molecular weight of 283.76 g/mol, XLogP of 1.30, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-chloropyrazol-1-yl)-1,3-dimethylpyrazol-4-yl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 63069807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).