5-chloro-3,4-dimethyl-1-[(4-methylphenyl)methyl]pyrazole

C13H15ClN2 — CID 66023235

IUPAC5-chloro-3,4-dimethyl-1-[(4-methylphenyl)methyl]pyrazole
SMILESCc1ccc(Cn2nc(C)c(C)c2Cl)cc1
InChIInChI=1S/C13H15ClN2/c1-9-4-6-12(7-5-9)8-16-13(14)10(2)11(3)15-16/h4-7H,8H2,1-3H3
InChIKeyOPJHXLATEIBPIN-UHFFFAOYSA-N
MW234.73 g/mol
LogP3.51
Rot. Bonds2

About 5-chloro-3,4-dimethyl-1-[(4-methylphenyl)methyl]pyrazole

5-chloro-3,4-dimethyl-1-[(4-methylphenyl)methyl]pyrazole (PubChem CID 66023235) has the molecular formula C13H15ClN2 and a molecular weight of 234.73 g/mol. Its IUPAC name is 5-chloro-3,4-dimethyl-1-[(4-methylphenyl)methyl]pyrazole.

Molecular Properties

Compound Name5-chloro-3,4-dimethyl-1-[(4-methylphenyl)methyl]pyrazole
PubChem CID66023235
Molecular FormulaC13H15ClN2
Molecular Weight234.73 g/mol
Exact Mass234.09
IUPAC Name5-chloro-3,4-dimethyl-1-[(4-methylphenyl)methyl]pyrazole
SMILESCc1ccc(Cn2nc(C)c(C)c2Cl)cc1
InChIInChI=1S/C13H15ClN2/c1-9-4-6-12(7-5-9)8-16-13(14)10(2)11(3)15-16/h4-7H,8H2,1-3H3
InChIKeyOPJHXLATEIBPIN-UHFFFAOYSA-N
XLogP3.51
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 ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-4-ethyl-3-methyl-1-[(4-methylphenyl)methyl]pyrazole
CID 66023029
5-chloro-3,4-dimethyl-1-[(2-methylphenyl)methyl]pyrazole
CID 66015296
3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-amine
CID 571135
2-[(4-chlorophenyl)methyl]-4,5-dimethylpyrazol-3-amine
CID 63279074
5-chloro-1-[(4-chlorophenyl)methyl]-3-ethyl-4-methylpyrazole
CID 66016298
3,5-dimethyl-1-[(4-methylphenyl)methyl]-4-nitrosopyrazole
CID 118191365
5-chloro-N-[(4-chlorophenyl)methyl]-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide
CID 26911967
3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazole-4-sulfonyl chloride
CID 43531725
5-chloro-N-(4-fluorophenyl)-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide
CID 18292119
1-[(Z)-[5-chloro-3-methyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]methylideneamino]-3-methylthiourea
CID 9071564
[5-chloro-3-methyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-(4-ethylpiperazin-1-yl)methanone
CID 78774100
5-chloro-3-methyl-1-[(4-methylphenyl)methyl]-N-[2-(2-methylpropanoylamino)ethyl]pyrazole-4-carboxamide
CID 31365143

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3,4-dimethyl-1-[(4-methylphenyl)methyl]pyrazole?
The IUPAC name of 5-chloro-3,4-dimethyl-1-[(4-methylphenyl)methyl]pyrazole (CID 66023235) is 5-chloro-3,4-dimethyl-1-[(4-methylphenyl)methyl]pyrazole.
What is the SMILES notation for 5-chloro-3,4-dimethyl-1-[(4-methylphenyl)methyl]pyrazole?
The canonical SMILES for 5-chloro-3,4-dimethyl-1-[(4-methylphenyl)methyl]pyrazole is Cc1ccc(Cn2nc(C)c(C)c2Cl)cc1.
What is the InChIKey of 5-chloro-3,4-dimethyl-1-[(4-methylphenyl)methyl]pyrazole?
The InChIKey is OPJHXLATEIBPIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2/c1-9-4-6-12(7-5-9)8-16-13(14)10(2)11(3)15-16/h4-7H,8H2,1-3H3.
What are the key properties of 5-chloro-3,4-dimethyl-1-[(4-methylphenyl)methyl]pyrazole?
5-chloro-3,4-dimethyl-1-[(4-methylphenyl)methyl]pyrazole has a molecular weight of 234.73 g/mol, XLogP of 3.51, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3,4-dimethyl-1-[(4-methylphenyl)methyl]pyrazole is sourced from PubChem (CID 66023235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).