2-[1-(2,5-dichlorophenyl)-5-methylpyrazol-4-yl]ethanamine

C12H13Cl2N3 — CID 95473477

IUPAC2-[1-(2,5-dichlorophenyl)-5-methylpyrazol-4-yl]ethanamine
SMILESCc1c(CCN)cnn1-c1cc(Cl)ccc1Cl
InChIInChI=1S/C12H13Cl2N3/c1-8-9(4-5-15)7-16-17(8)12-6-10(13)2-3-11(12)14/h2-3,6-7H,4-5,15H2,1H3
InChIKeyCAHIMXGOYAFPPR-UHFFFAOYSA-N
MW270.16 g/mol
LogP2.99
Rot. Bonds3

About 2-[1-(2,5-dichlorophenyl)-5-methylpyrazol-4-yl]ethanamine

2-[1-(2,5-dichlorophenyl)-5-methylpyrazol-4-yl]ethanamine (PubChem CID 95473477) has the molecular formula C12H13Cl2N3 and a molecular weight of 270.16 g/mol. Its IUPAC name is 2-[1-(2,5-dichlorophenyl)-5-methylpyrazol-4-yl]ethanamine.

Molecular Properties

Compound Name2-[1-(2,5-dichlorophenyl)-5-methylpyrazol-4-yl]ethanamine
PubChem CID95473477
Molecular FormulaC12H13Cl2N3
Molecular Weight270.16 g/mol
Exact Mass269.05
IUPAC Name2-[1-(2,5-dichlorophenyl)-5-methylpyrazol-4-yl]ethanamine
SMILESCc1c(CCN)cnn1-c1cc(Cl)ccc1Cl
InChIInChI=1S/C12H13Cl2N3/c1-8-9(4-5-15)7-16-17(8)12-6-10(13)2-3-11(12)14/h2-3,6-7H,4-5,15H2,1H3
InChIKeyCAHIMXGOYAFPPR-UHFFFAOYSA-N
XLogP2.99
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.16
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(4-chloro-2-methylphenyl)-5-methylpyrazol-4-yl]ethanamine
CID 82297303
2-[1-(2,5-dichlorophenyl)-5-methylpyrazol-4-yl]acetonitrile
CID 82528220
1-(2,5-dichlorophenyl)-5-methylpyrazole-4-carbaldehyde
CID 82528229
2-[1-(4-chlorophenyl)-5-methylpyrazol-4-yl]ethanamine
CID 82291486
2-[1-(3-chlorophenyl)-5-methylpyrazol-4-yl]ethanamine
CID 82291485
[1-(2,5-dichlorophenyl)-5-ethylpyrazol-4-yl]methanamine
CID 95473478
1-(5-chloro-2-methoxyphenyl)-4-(chloromethyl)-5-methylpyrazole
CID 82528095
2-[1-(4-chlorophenyl)-5-methylpyrazol-4-yl]ethanol
CID 105498410
2-[5-methyl-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]ethanamine
CID 82305490
2-[1-(4-ethoxyphenyl)-5-methylpyrazol-4-yl]ethanamine
CID 95457156
2-[1-(3-chloro-2-methylphenyl)-5-propan-2-ylpyrazol-4-yl]ethanamine
CID 95481921
1-(2,5-dichlorophenyl)-3,5-dimethylpyrazole-4-carbonitrile
CID 39365306

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,5-dichlorophenyl)-5-methylpyrazol-4-yl]ethanamine?
The IUPAC name of 2-[1-(2,5-dichlorophenyl)-5-methylpyrazol-4-yl]ethanamine (CID 95473477) is 2-[1-(2,5-dichlorophenyl)-5-methylpyrazol-4-yl]ethanamine.
What is the SMILES notation for 2-[1-(2,5-dichlorophenyl)-5-methylpyrazol-4-yl]ethanamine?
The canonical SMILES for 2-[1-(2,5-dichlorophenyl)-5-methylpyrazol-4-yl]ethanamine is Cc1c(CCN)cnn1-c1cc(Cl)ccc1Cl.
What is the InChIKey of 2-[1-(2,5-dichlorophenyl)-5-methylpyrazol-4-yl]ethanamine?
The InChIKey is CAHIMXGOYAFPPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2N3/c1-8-9(4-5-15)7-16-17(8)12-6-10(13)2-3-11(12)14/h2-3,6-7H,4-5,15H2,1H3.
What are the key properties of 2-[1-(2,5-dichlorophenyl)-5-methylpyrazol-4-yl]ethanamine?
2-[1-(2,5-dichlorophenyl)-5-methylpyrazol-4-yl]ethanamine has a molecular weight of 270.16 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,5-dichlorophenyl)-5-methylpyrazol-4-yl]ethanamine is sourced from PubChem (CID 95473477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).