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

C14H18ClN3 — CID 105099548

IUPACN-[(2-chlorophenyl)-(2,5-dimethylpyrazol-3-yl)methyl]ethanamine
SMILESCCNC(c1ccccc1Cl)c1cc(C)nn1C
InChIInChI=1S/C14H18ClN3/c1-4-16-14(11-7-5-6-8-12(11)15)13-9-10(2)17-18(13)3/h5-9,14,16H,4H2,1-3H3
InChIKeyBXOSEXCFLIGWLP-UHFFFAOYSA-N
MW263.77 g/mol
LogP3.08
Rot. Bonds4

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

N-[(2-chlorophenyl)-(2,5-dimethylpyrazol-3-yl)methyl]ethanamine (PubChem CID 105099548) has the molecular formula C14H18ClN3 and a molecular weight of 263.77 g/mol. Its IUPAC name is N-[(2-chlorophenyl)-(2,5-dimethylpyrazol-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-chlorophenyl)-(2,5-dimethylpyrazol-3-yl)methyl]ethanamine
PubChem CID105099548
Molecular FormulaC14H18ClN3
Molecular Weight263.77 g/mol
Exact Mass263.12
IUPAC NameN-[(2-chlorophenyl)-(2,5-dimethylpyrazol-3-yl)methyl]ethanamine
SMILESCCNC(c1ccccc1Cl)c1cc(C)nn1C
InChIInChI=1S/C14H18ClN3/c1-4-16-14(11-7-5-6-8-12(11)15)13-9-10(2)17-18(13)3/h5-9,14,16H,4H2,1-3H3
InChIKeyBXOSEXCFLIGWLP-UHFFFAOYSA-N
XLogP3.08
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.77
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(2-chlorophenyl)-(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-[(2,5-dichlorophenyl)-(2,5-dimethylpyrazol-3-yl)methyl]ethanamine
CID 105142188
N-[(2-chlorophenyl)-(2-ethyl-5-methylpyrazol-3-yl)methyl]ethanamine
CID 105099923
N-[(2,5-dimethylpyrazol-3-yl)-(2-methoxyphenyl)methyl]ethanamine
CID 105093278
N-[(5-chloro-2-methoxyphenyl)-(2,5-dimethylpyrazol-3-yl)methyl]ethanamine
CID 105140922
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-[(2,4-difluorophenyl)-(2,5-dimethylpyrazol-3-yl)methyl]ethanamine
CID 105143642
N-[(2,5-dimethylpyrazol-3-yl)-(5-fluoro-2-methoxyphenyl)methyl]ethanamine
CID 105176495
N-[(2,5-dimethylpyrazol-3-yl)-(2,3,4-trifluorophenyl)methyl]ethanamine
CID 105146439
N-[2,3-dihydro-1-benzofuran-7-yl-(2,5-dimethylpyrazol-3-yl)methyl]ethanamine
CID 105189348
2-(2-chlorophenyl)-3-(2,5-dimethylpyrazol-3-yl)propanoic acid
CID 79439265
N-[(2,6-dimethoxyphenyl)-(2,5-dimethylpyrazol-3-yl)methyl]ethanamine
CID 105188698

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)-(2,5-dimethylpyrazol-3-yl)methyl]ethanamine?
The IUPAC name of N-[(2-chlorophenyl)-(2,5-dimethylpyrazol-3-yl)methyl]ethanamine (CID 105099548) is N-[(2-chlorophenyl)-(2,5-dimethylpyrazol-3-yl)methyl]ethanamine.
What is the SMILES notation for N-[(2-chlorophenyl)-(2,5-dimethylpyrazol-3-yl)methyl]ethanamine?
The canonical SMILES for N-[(2-chlorophenyl)-(2,5-dimethylpyrazol-3-yl)methyl]ethanamine is CCNC(c1ccccc1Cl)c1cc(C)nn1C.
What is the InChIKey of N-[(2-chlorophenyl)-(2,5-dimethylpyrazol-3-yl)methyl]ethanamine?
The InChIKey is BXOSEXCFLIGWLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3/c1-4-16-14(11-7-5-6-8-12(11)15)13-9-10(2)17-18(13)3/h5-9,14,16H,4H2,1-3H3.
What are the key properties of N-[(2-chlorophenyl)-(2,5-dimethylpyrazol-3-yl)methyl]ethanamine?
N-[(2-chlorophenyl)-(2,5-dimethylpyrazol-3-yl)methyl]ethanamine has a molecular weight of 263.77 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)-(2,5-dimethylpyrazol-3-yl)methyl]ethanamine is sourced from PubChem (CID 105099548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).