5-chloro-1-(2,4-dimethylphenyl)-3-ethyl-4-methylpyrazole

C14H17ClN2 — CID 66021998

IUPAC5-chloro-1-(2,4-dimethylphenyl)-3-ethyl-4-methylpyrazole
SMILESCCc1nn(-c2ccc(C)cc2C)c(Cl)c1C
InChIInChI=1S/C14H17ClN2/c1-5-12-11(4)14(15)17(16-12)13-7-6-9(2)8-10(13)3/h6-8H,5H2,1-4H3
InChIKeyDIESOBGQLUOSDS-UHFFFAOYSA-N
MW248.76 g/mol
LogP4.01
Rot. Bonds2

About 5-chloro-1-(2,4-dimethylphenyl)-3-ethyl-4-methylpyrazole

5-chloro-1-(2,4-dimethylphenyl)-3-ethyl-4-methylpyrazole (PubChem CID 66021998) has the molecular formula C14H17ClN2 and a molecular weight of 248.76 g/mol. Its IUPAC name is 5-chloro-1-(2,4-dimethylphenyl)-3-ethyl-4-methylpyrazole.

Molecular Properties

Compound Name5-chloro-1-(2,4-dimethylphenyl)-3-ethyl-4-methylpyrazole
PubChem CID66021998
Molecular FormulaC14H17ClN2
Molecular Weight248.76 g/mol
Exact Mass248.11
IUPAC Name5-chloro-1-(2,4-dimethylphenyl)-3-ethyl-4-methylpyrazole
SMILESCCc1nn(-c2ccc(C)cc2C)c(Cl)c1C
InChIInChI=1S/C14H17ClN2/c1-5-12-11(4)14(15)17(16-12)13-7-6-9(2)8-10(13)3/h6-8H,5H2,1-4H3
InChIKeyDIESOBGQLUOSDS-UHFFFAOYSA-N
XLogP4.01
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.76
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-1-(3,5-dimethylphenyl)-3-ethyl-4-methylpyrazole
CID 66020556
1-(4-bromo-2-methylphenyl)-5-chloro-3,4-dimethylpyrazole
CID 104509036
5-chloro-3-ethyl-1-(4-fluoro-2-methylphenyl)pyrazole-4-sulfonyl chloride
CID 82918805
1-(4-bromo-2-methylphenyl)-5-chloro-4-ethyl-3-methylpyrazole
CID 104509030
3-chloro-2-(2,4-dimethylphenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazole
CID 66022207
4-(5-chloro-3-ethyl-4-methylpyrazol-1-yl)benzonitrile
CID 66021994
5-chloro-3-ethyl-4-methyl-1-[4-(trifluoromethyl)phenyl]pyrazole
CID 81255305
5-chloro-1-(2,4-dimethylphenyl)-3-phenylpyrazole
CID 66021165
1-(2,4-dimethylphenyl)-3-(ethylaminomethyl)-6-methylpyridazin-4-one
CID 82419228
1-(4-bromo-2-methylphenyl)-5-chloro-4-methyl-3-(trifluoromethyl)pyrazole
CID 104509024
2-[1-(2,4-dimethylphenyl)-6-methyl-4-oxopyridazin-3-yl]acetic acid
CID 82419241
3-[1-(2,4-dimethylphenyl)-6-methyl-4-oxopyridazin-3-yl]propanoyl chloride
CID 82419252

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-(2,4-dimethylphenyl)-3-ethyl-4-methylpyrazole?
The IUPAC name of 5-chloro-1-(2,4-dimethylphenyl)-3-ethyl-4-methylpyrazole (CID 66021998) is 5-chloro-1-(2,4-dimethylphenyl)-3-ethyl-4-methylpyrazole.
What is the SMILES notation for 5-chloro-1-(2,4-dimethylphenyl)-3-ethyl-4-methylpyrazole?
The canonical SMILES for 5-chloro-1-(2,4-dimethylphenyl)-3-ethyl-4-methylpyrazole is CCc1nn(-c2ccc(C)cc2C)c(Cl)c1C.
What is the InChIKey of 5-chloro-1-(2,4-dimethylphenyl)-3-ethyl-4-methylpyrazole?
The InChIKey is DIESOBGQLUOSDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2/c1-5-12-11(4)14(15)17(16-12)13-7-6-9(2)8-10(13)3/h6-8H,5H2,1-4H3.
What are the key properties of 5-chloro-1-(2,4-dimethylphenyl)-3-ethyl-4-methylpyrazole?
5-chloro-1-(2,4-dimethylphenyl)-3-ethyl-4-methylpyrazole has a molecular weight of 248.76 g/mol, XLogP of 4.01, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-(2,4-dimethylphenyl)-3-ethyl-4-methylpyrazole is sourced from PubChem (CID 66021998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).