1-(4-chlorophenyl)-4-ethyl-3,5-dimethylpyrazole

C13H15ClN2 — CID 50888250

IUPAC1-(4-chlorophenyl)-4-ethyl-3,5-dimethylpyrazole
SMILESCCc1c(C)nn(-c2ccc(Cl)cc2)c1C
InChIInChI=1S/C13H15ClN2/c1-4-13-9(2)15-16(10(13)3)12-7-5-11(14)6-8-12/h5-8H,4H2,1-3H3
InChIKeyPZCREICIPREWRK-UHFFFAOYSA-N
MW234.73 g/mol
LogP3.70
Rot. Bonds2

About 1-(4-chlorophenyl)-4-ethyl-3,5-dimethylpyrazole

1-(4-chlorophenyl)-4-ethyl-3,5-dimethylpyrazole (PubChem CID 50888250) has the molecular formula C13H15ClN2 and a molecular weight of 234.73 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-4-ethyl-3,5-dimethylpyrazole.

Molecular Properties

Compound Name1-(4-chlorophenyl)-4-ethyl-3,5-dimethylpyrazole
PubChem CID50888250
Molecular FormulaC13H15ClN2
Molecular Weight234.73 g/mol
Exact Mass234.09
IUPAC Name1-(4-chlorophenyl)-4-ethyl-3,5-dimethylpyrazole
SMILESCCc1c(C)nn(-c2ccc(Cl)cc2)c1C
InChIInChI=1S/C13H15ClN2/c1-4-13-9(2)15-16(10(13)3)12-7-5-11(14)6-8-12/h5-8H,4H2,1-3H3
InChIKeyPZCREICIPREWRK-UHFFFAOYSA-N
XLogP3.70
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.73
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-ethyl-3,5-dimethylpyrazol-1-yl)benzaldehyde
CID 61238841
3-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]propanoic acid
CID 16796125
1-N-[[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-2-N,2-N-dimethylpropane-1,2-diamine
CID 154741292
2-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(2-ethylphenyl)acetamide
CID 55736830
5-chloro-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)benzaldehyde
CID 114844619
2-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(2-hydroxyethyl)acetamide
CID 78884828
1-(4-chlorophenyl)-4-(2-hydroperoxy-2,2-diphenylethyl)-3,5-dimethylpyrazole
CID 10526086
1-[[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-4-methylpyrrolidin-3-amine
CID 120909833
1-[[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]azetidine-3-carboxylic acid
CID 122046745
2-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[2-(methylamino)ethyl]acetamide
CID 119502495
2-chloro-4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N'-hydroxybenzenecarboximidamide
CID 76981750
4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-2-methylbenzonitrile
CID 81281768

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-4-ethyl-3,5-dimethylpyrazole?
The IUPAC name of 1-(4-chlorophenyl)-4-ethyl-3,5-dimethylpyrazole (CID 50888250) is 1-(4-chlorophenyl)-4-ethyl-3,5-dimethylpyrazole.
What is the SMILES notation for 1-(4-chlorophenyl)-4-ethyl-3,5-dimethylpyrazole?
The canonical SMILES for 1-(4-chlorophenyl)-4-ethyl-3,5-dimethylpyrazole is CCc1c(C)nn(-c2ccc(Cl)cc2)c1C.
What is the InChIKey of 1-(4-chlorophenyl)-4-ethyl-3,5-dimethylpyrazole?
The InChIKey is PZCREICIPREWRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2/c1-4-13-9(2)15-16(10(13)3)12-7-5-11(14)6-8-12/h5-8H,4H2,1-3H3.
What are the key properties of 1-(4-chlorophenyl)-4-ethyl-3,5-dimethylpyrazole?
1-(4-chlorophenyl)-4-ethyl-3,5-dimethylpyrazole has a molecular weight of 234.73 g/mol, XLogP of 3.70, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-4-ethyl-3,5-dimethylpyrazole is sourced from PubChem (CID 50888250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).