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

C14H17ClN2 — CID 66023029

IUPAC5-chloro-4-ethyl-3-methyl-1-[(4-methylphenyl)methyl]pyrazole
SMILESCCc1c(C)nn(Cc2ccc(C)cc2)c1Cl
InChIInChI=1S/C14H17ClN2/c1-4-13-11(3)16-17(14(13)15)9-12-7-5-10(2)6-8-12/h5-8H,4,9H2,1-3H3
InChIKeyIRSIYDFUIAPEBH-UHFFFAOYSA-N
MW248.76 g/mol
LogP3.76
Rot. Bonds3

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

5-chloro-4-ethyl-3-methyl-1-[(4-methylphenyl)methyl]pyrazole (PubChem CID 66023029) has the molecular formula C14H17ClN2 and a molecular weight of 248.76 g/mol. Its IUPAC name is 5-chloro-4-ethyl-3-methyl-1-[(4-methylphenyl)methyl]pyrazole.

Molecular Properties

Compound Name5-chloro-4-ethyl-3-methyl-1-[(4-methylphenyl)methyl]pyrazole
PubChem CID66023029
Molecular FormulaC14H17ClN2
Molecular Weight248.76 g/mol
Exact Mass248.11
IUPAC Name5-chloro-4-ethyl-3-methyl-1-[(4-methylphenyl)methyl]pyrazole
SMILESCCc1c(C)nn(Cc2ccc(C)cc2)c1Cl
InChIInChI=1S/C14H17ClN2/c1-4-13-11(3)16-17(14(13)15)9-12-7-5-10(2)6-8-12/h5-8H,4,9H2,1-3H3
InChIKeyIRSIYDFUIAPEBH-UHFFFAOYSA-N
XLogP3.76
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.76
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-3,4-dimethyl-1-[(4-methylphenyl)methyl]pyrazole
CID 66023235
3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-amine
CID 571135
3-[[[5-chloro-3-methyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]methylamino]methyl]-N-methylbenzenesulfonamide
CID 86884435
[2-(4-ethylphenyl)-2-oxoethyl] 5-chloro-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxylate
CID 7355652
5-chloro-4-ethyl-3-methyl-1-(3-methylbutyl)pyrazole
CID 66020171
2-chloro-4-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]pyridine
CID 62470807
[5-chloro-3-methyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-(4-ethylpiperazin-1-yl)methanone
CID 78774100
5-chloro-1-[(4-chlorophenyl)methyl]-3-ethyl-4-methylpyrazole
CID 66016298
5-chloro-4-(chloromethyl)-1-[(3-fluorophenyl)methyl]-3-methylpyrazole
CID 63279022
5-chloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide
CID 4786773
5-ethyl-2-[(4-methylphenyl)methyl]-1,2,4-triazol-3-amine
CID 62677338
3,5-dimethyl-1-[(4-methylphenyl)methyl]-4-nitrosopyrazole
CID 118191365

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-ethyl-3-methyl-1-[(4-methylphenyl)methyl]pyrazole?
The IUPAC name of 5-chloro-4-ethyl-3-methyl-1-[(4-methylphenyl)methyl]pyrazole (CID 66023029) is 5-chloro-4-ethyl-3-methyl-1-[(4-methylphenyl)methyl]pyrazole.
What is the SMILES notation for 5-chloro-4-ethyl-3-methyl-1-[(4-methylphenyl)methyl]pyrazole?
The canonical SMILES for 5-chloro-4-ethyl-3-methyl-1-[(4-methylphenyl)methyl]pyrazole is CCc1c(C)nn(Cc2ccc(C)cc2)c1Cl.
What is the InChIKey of 5-chloro-4-ethyl-3-methyl-1-[(4-methylphenyl)methyl]pyrazole?
The InChIKey is IRSIYDFUIAPEBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2/c1-4-13-11(3)16-17(14(13)15)9-12-7-5-10(2)6-8-12/h5-8H,4,9H2,1-3H3.
What are the key properties of 5-chloro-4-ethyl-3-methyl-1-[(4-methylphenyl)methyl]pyrazole?
5-chloro-4-ethyl-3-methyl-1-[(4-methylphenyl)methyl]pyrazole has a molecular weight of 248.76 g/mol, XLogP of 3.76, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-ethyl-3-methyl-1-[(4-methylphenyl)methyl]pyrazole is sourced from PubChem (CID 66023029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).