1-[1-(3,4-dichlorophenyl)-5-ethylpyrazol-4-yl]-N-methylmethanamine

C13H15Cl2N3 — CID 66441666

IUPAC1-[1-(3,4-dichlorophenyl)-5-ethylpyrazol-4-yl]-N-methylmethanamine
SMILESCCc1c(CNC)cnn1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H15Cl2N3/c1-3-13-9(7-16-2)8-17-18(13)10-4-5-11(14)12(15)6-10/h4-6,8,16H,3,7H2,1-2H3
InChIKeyAXWXNGWXIRJOOZ-UHFFFAOYSA-N
MW284.19 g/mol
LogP3.46
Rot. Bonds4

About 1-[1-(3,4-dichlorophenyl)-5-ethylpyrazol-4-yl]-N-methylmethanamine

1-[1-(3,4-dichlorophenyl)-5-ethylpyrazol-4-yl]-N-methylmethanamine (PubChem CID 66441666) has the molecular formula C13H15Cl2N3 and a molecular weight of 284.19 g/mol. Its IUPAC name is 1-[1-(3,4-dichlorophenyl)-5-ethylpyrazol-4-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-(3,4-dichlorophenyl)-5-ethylpyrazol-4-yl]-N-methylmethanamine
PubChem CID66441666
Molecular FormulaC13H15Cl2N3
Molecular Weight284.19 g/mol
Exact Mass283.06
IUPAC Name1-[1-(3,4-dichlorophenyl)-5-ethylpyrazol-4-yl]-N-methylmethanamine
SMILESCCc1c(CNC)cnn1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H15Cl2N3/c1-3-13-9(7-16-2)8-17-18(13)10-4-5-11(14)12(15)6-10/h4-6,8,16H,3,7H2,1-2H3
InChIKeyAXWXNGWXIRJOOZ-UHFFFAOYSA-N
XLogP3.46
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.19
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[1-(3,4-dichlorophenyl)-5-ethylpyrazol-4-yl]-N-methylmethanamine 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-[[1-(3-chloro-4-methylphenyl)-5-ethylpyrazol-4-yl]methyl]propan-1-amine
CID 66441050
1-(3,4-dichlorophenyl)-5-ethylpyrazol-4-amine
CID 66425931
4-(bromomethyl)-1-(3-chloro-4-methylphenyl)-5-ethylpyrazole
CID 66438579
N-[[1-(4-chloro-3-fluorophenyl)-5-ethylpyrazol-4-yl]methyl]-2-methoxyethanamine
CID 79132895
N-[[1-(3,4-dichlorophenyl)-5-methylpyrazol-4-yl]methyl]propan-1-amine
CID 54982311
N-[[1-(4-chloro-3-fluorophenyl)-5-propylpyrazol-4-yl]methyl]propan-1-amine
CID 79132548
N-[[1-(3,4-dichlorophenyl)-5-methylpyrazol-4-yl]methyl]cyclopropanamine
CID 54982355
N-[[1-(3-chloro-4-methylphenyl)-5-propylpyrazol-4-yl]methyl]cyclopropanamine
CID 66440239
N-[[1-(3,5-dimethylphenyl)-5-ethylpyrazol-4-yl]methyl]ethanamine
CID 66440506
1-(1-benzyl-5-ethylpyrazol-4-yl)-N-methylmethanamine
CID 66441097
N-[[1-(4-bromophenyl)-5-ethylpyrazol-4-yl]methyl]cyclopropanamine
CID 66440971
1-[1-(4-chloro-3-fluorophenyl)-3,5-diethylpyrazol-4-yl]-N-methylmethanamine
CID 107431150

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3,4-dichlorophenyl)-5-ethylpyrazol-4-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-(3,4-dichlorophenyl)-5-ethylpyrazol-4-yl]-N-methylmethanamine (CID 66441666) is 1-[1-(3,4-dichlorophenyl)-5-ethylpyrazol-4-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-(3,4-dichlorophenyl)-5-ethylpyrazol-4-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-(3,4-dichlorophenyl)-5-ethylpyrazol-4-yl]-N-methylmethanamine is CCc1c(CNC)cnn1-c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-[1-(3,4-dichlorophenyl)-5-ethylpyrazol-4-yl]-N-methylmethanamine?
The InChIKey is AXWXNGWXIRJOOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2N3/c1-3-13-9(7-16-2)8-17-18(13)10-4-5-11(14)12(15)6-10/h4-6,8,16H,3,7H2,1-2H3.
What are the key properties of 1-[1-(3,4-dichlorophenyl)-5-ethylpyrazol-4-yl]-N-methylmethanamine?
1-[1-(3,4-dichlorophenyl)-5-ethylpyrazol-4-yl]-N-methylmethanamine has a molecular weight of 284.19 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3,4-dichlorophenyl)-5-ethylpyrazol-4-yl]-N-methylmethanamine is sourced from PubChem (CID 66441666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).