N-[(2,5-dichlorophenyl)-(2,5-dimethylpyrazol-3-yl)methyl]ethanamine

C14H17Cl2N3 — CID 105142188

IUPACN-[(2,5-dichlorophenyl)-(2,5-dimethylpyrazol-3-yl)methyl]ethanamine
SMILESCCNC(c1cc(Cl)ccc1Cl)c1cc(C)nn1C
InChIInChI=1S/C14H17Cl2N3/c1-4-17-14(13-7-9(2)18-19(13)3)11-8-10(15)5-6-12(11)16/h5-8,14,17H,4H2,1-3H3
InChIKeySZCFGJIWWVPPTL-UHFFFAOYSA-N
MW298.22 g/mol
LogP3.73
Rot. Bonds4

About N-[(2,5-dichlorophenyl)-(2,5-dimethylpyrazol-3-yl)methyl]ethanamine

N-[(2,5-dichlorophenyl)-(2,5-dimethylpyrazol-3-yl)methyl]ethanamine (PubChem CID 105142188) has the molecular formula C14H17Cl2N3 and a molecular weight of 298.22 g/mol. Its IUPAC name is N-[(2,5-dichlorophenyl)-(2,5-dimethylpyrazol-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2,5-dichlorophenyl)-(2,5-dimethylpyrazol-3-yl)methyl]ethanamine
PubChem CID105142188
Molecular FormulaC14H17Cl2N3
Molecular Weight298.22 g/mol
Exact Mass297.08
IUPAC NameN-[(2,5-dichlorophenyl)-(2,5-dimethylpyrazol-3-yl)methyl]ethanamine
SMILESCCNC(c1cc(Cl)ccc1Cl)c1cc(C)nn1C
InChIInChI=1S/C14H17Cl2N3/c1-4-17-14(13-7-9(2)18-19(13)3)11-8-10(15)5-6-12(11)16/h5-8,14,17H,4H2,1-3H3
InChIKeySZCFGJIWWVPPTL-UHFFFAOYSA-N
XLogP3.73
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.22
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(2,5-dichlorophenyl)-(2,5-dimethylpyrazol-3-yl)methyl]ethanamine 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-[(2-chlorophenyl)-(2,5-dimethylpyrazol-3-yl)methyl]ethanamine
CID 105099548
N-[(5-chloro-2-methoxyphenyl)-(2,5-dimethylpyrazol-3-yl)methyl]ethanamine
CID 105140922
N-[(2,5-dimethylpyrazol-3-yl)-(2,3,4-trifluorophenyl)methyl]ethanamine
CID 105146439
N-[(2,4-difluorophenyl)-(2,5-dimethylpyrazol-3-yl)methyl]ethanamine
CID 105143642
N-[bis(2,5-dichlorophenyl)methyl]ethanamine
CID 43493009
N-[(2,5-dimethylpyrazol-3-yl)-(5-fluoro-2-methylphenyl)methyl]ethanamine
CID 105142391
N-[(3-chloro-4-methylphenyl)-(2,5-dimethylpyrazol-3-yl)methyl]ethanamine
CID 107561717
N-[(2,5-dichlorophenyl)-(3-ethyl-1-methylpyrazol-5-yl)methyl]propan-1-amine
CID 105142319
N-[(2,5-dimethylpyrazol-3-yl)-(2-methoxyphenyl)methyl]ethanamine
CID 105093278
N-[(2,5-dichlorophenyl)-(3,6-dimethylpyridazin-4-yl)methyl]ethanamine
CID 105142190
N-[(2,5-dimethylpyrazol-3-yl)-(5-fluoro-2-methoxyphenyl)methyl]ethanamine
CID 105176495
N-[(2,5-dichlorophenyl)-(5-methylpyrazin-2-yl)methyl]ethanamine
CID 105142310

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dichlorophenyl)-(2,5-dimethylpyrazol-3-yl)methyl]ethanamine?
The IUPAC name of N-[(2,5-dichlorophenyl)-(2,5-dimethylpyrazol-3-yl)methyl]ethanamine (CID 105142188) is N-[(2,5-dichlorophenyl)-(2,5-dimethylpyrazol-3-yl)methyl]ethanamine.
What is the SMILES notation for N-[(2,5-dichlorophenyl)-(2,5-dimethylpyrazol-3-yl)methyl]ethanamine?
The canonical SMILES for N-[(2,5-dichlorophenyl)-(2,5-dimethylpyrazol-3-yl)methyl]ethanamine is CCNC(c1cc(Cl)ccc1Cl)c1cc(C)nn1C.
What is the InChIKey of N-[(2,5-dichlorophenyl)-(2,5-dimethylpyrazol-3-yl)methyl]ethanamine?
The InChIKey is SZCFGJIWWVPPTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2N3/c1-4-17-14(13-7-9(2)18-19(13)3)11-8-10(15)5-6-12(11)16/h5-8,14,17H,4H2,1-3H3.
What are the key properties of N-[(2,5-dichlorophenyl)-(2,5-dimethylpyrazol-3-yl)methyl]ethanamine?
N-[(2,5-dichlorophenyl)-(2,5-dimethylpyrazol-3-yl)methyl]ethanamine has a molecular weight of 298.22 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dichlorophenyl)-(2,5-dimethylpyrazol-3-yl)methyl]ethanamine is sourced from PubChem (CID 105142188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).