3-(2-chlorophenyl)-4-ethyl-1-methylpyrazole

C12H13ClN2 — CID 123288377

IUPAC3-(2-chlorophenyl)-4-ethyl-1-methylpyrazole
SMILESCCc1cn(C)nc1-c1ccccc1Cl
InChIInChI=1S/C12H13ClN2/c1-3-9-8-15(2)14-12(9)10-6-4-5-7-11(10)13/h4-8H,3H2,1-2H3
InChIKeyMHLUJYJYTXBDBM-UHFFFAOYSA-N
MW220.70 g/mol
LogP3.30
Rot. Bonds2

About 3-(2-chlorophenyl)-4-ethyl-1-methylpyrazole

3-(2-chlorophenyl)-4-ethyl-1-methylpyrazole (PubChem CID 123288377) has the molecular formula C12H13ClN2 and a molecular weight of 220.70 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-4-ethyl-1-methylpyrazole.

Molecular Properties

Compound Name3-(2-chlorophenyl)-4-ethyl-1-methylpyrazole
PubChem CID123288377
Molecular FormulaC12H13ClN2
Molecular Weight220.70 g/mol
Exact Mass220.08
IUPAC Name3-(2-chlorophenyl)-4-ethyl-1-methylpyrazole
SMILESCCc1cn(C)nc1-c1ccccc1Cl
InChIInChI=1S/C12H13ClN2/c1-3-9-8-15(2)14-12(9)10-6-4-5-7-11(10)13/h4-8H,3H2,1-2H3
InChIKeyMHLUJYJYTXBDBM-UHFFFAOYSA-N
XLogP3.30
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.70
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-(2-chlorophenyl)-4-ethyl-1-methylpyrazole 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

4-[[3-(2-chlorophenyl)-1-methylpyrazol-4-yl]methylamino]-3-methylbutan-1-ol
CID 111469660
5-[[3-(2-chlorophenyl)-1-methylpyrazol-4-yl]methylamino]-4,4-dimethylpentan-2-ol
CID 111467891
3-(2-chlorophenyl)-5-ethyl-1-methylpyrazole
CID 70791545
3-[[3-(2-chlorophenyl)-1-methylpyrazole-4-carbonyl]-methylamino]-2-methylpropanoic acid
CID 119228298
3-(2-chlorophenyl)-N-[3-(dimethylamino)propyl]-1-methylpyrazole-4-carboxamide
CID 56790848
[(3R,4R)-1-[[3-(2-chlorophenyl)-1-methylpyrazol-4-yl]methyl]-4-phenylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120769743
5-(2-chlorophenyl)-3-propylimidazol-4-amine
CID 62017724
5-(2-chlorophenyl)-3-ethylimidazol-4-amine
CID 62018842
(3S,4S)-1-[3-(2-chlorophenyl)-1-methylpyrazole-4-carbonyl]-4-methylpyrrolidine-3-carboxylic acid
CID 120952941
[3-(2-chlorophenyl)-1-methylpyrazol-4-yl]-[(3R)-3-methylpiperazin-1-yl]methanone
CID 124620567
3-[3-(2-chlorophenyl)-1-methylpyrazol-4-yl]-2-cyanoprop-2-enamide
CID 126774113
3-(2-chlorophenyl)-1-methyl-N-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride
CID 119390437

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-4-ethyl-1-methylpyrazole?
The IUPAC name of 3-(2-chlorophenyl)-4-ethyl-1-methylpyrazole (CID 123288377) is 3-(2-chlorophenyl)-4-ethyl-1-methylpyrazole.
What is the SMILES notation for 3-(2-chlorophenyl)-4-ethyl-1-methylpyrazole?
The canonical SMILES for 3-(2-chlorophenyl)-4-ethyl-1-methylpyrazole is CCc1cn(C)nc1-c1ccccc1Cl.
What is the InChIKey of 3-(2-chlorophenyl)-4-ethyl-1-methylpyrazole?
The InChIKey is MHLUJYJYTXBDBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2/c1-3-9-8-15(2)14-12(9)10-6-4-5-7-11(10)13/h4-8H,3H2,1-2H3.
What are the key properties of 3-(2-chlorophenyl)-4-ethyl-1-methylpyrazole?
3-(2-chlorophenyl)-4-ethyl-1-methylpyrazole has a molecular weight of 220.70 g/mol, XLogP of 3.30, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-4-ethyl-1-methylpyrazole is sourced from PubChem (CID 123288377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).