4-benzyl-1-(4-ethylphenyl)-5-methyl-3-propan-2-yloxypyrazole

C22H26N2O — CID 118430639

IUPAC4-benzyl-1-(4-ethylphenyl)-5-methyl-3-propan-2-yloxypyrazole
SMILESCCc1ccc(-n2nc(OC(C)C)c(Cc3ccccc3)c2C)cc1
InChIInChI=1S/C22H26N2O/c1-5-18-11-13-20(14-12-18)24-17(4)21(22(23-24)25-16(2)3)15-19-9-7-6-8-10-19/h6-14,16H,5,15H2,1-4H3
InChIKeyMURXFTAMMAMDAA-UHFFFAOYSA-N
MW334.46 g/mol
LogP5.12
Rot. Bonds6

About 4-benzyl-1-(4-ethylphenyl)-5-methyl-3-propan-2-yloxypyrazole

4-benzyl-1-(4-ethylphenyl)-5-methyl-3-propan-2-yloxypyrazole (PubChem CID 118430639) has the molecular formula C22H26N2O and a molecular weight of 334.46 g/mol. Its IUPAC name is 4-benzyl-1-(4-ethylphenyl)-5-methyl-3-propan-2-yloxypyrazole.

Molecular Properties

Compound Name4-benzyl-1-(4-ethylphenyl)-5-methyl-3-propan-2-yloxypyrazole
PubChem CID118430639
Molecular FormulaC22H26N2O
Molecular Weight334.46 g/mol
Exact Mass334.20
IUPAC Name4-benzyl-1-(4-ethylphenyl)-5-methyl-3-propan-2-yloxypyrazole
SMILESCCc1ccc(-n2nc(OC(C)C)c(Cc3ccccc3)c2C)cc1
InChIInChI=1S/C22H26N2O/c1-5-18-11-13-20(14-12-18)24-17(4)21(22(23-24)25-16(2)3)15-19-9-7-6-8-10-19/h6-14,16H,5,15H2,1-4H3
InChIKeyMURXFTAMMAMDAA-UHFFFAOYSA-N
XLogP5.12
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.46
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-Amino-3-methyl-1,4-diphenyl-1,4-dihydropyrano(2,3-c)pyrazole-5-carbonitrile
CID 326810
N,N-dimethyl-3-(1-phenylindazol-3-yl)oxypropan-1-amine
CID 200264
6-Amino-4-(2-fluorophenyl)-3-methyl-1-(4-methylphenyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 2865714
3-(1-benzyl-5-phenylpyrazol-3-yl)oxy-N,N-dimethylpropan-1-amine
CID 9905772
3-(1,5-diphenylpyrazol-3-yl)oxy-N,N-dimethylpropan-1-amine
CID 10314006
N,N-Diethyl-2-[[5-methyl-1-(2-naphthalenyl)-1H-pyrazol-3-yl]oxy]ethanamine
CID 11659822
5-(4-Methoxyphenyl)-1,3-diphenyl-1H-pyrazole
CID 14532339
6-Amino-3-methyl-4-(4-methylphenyl)-1-phenyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 2835017
6-Amino-4-(4-fluorophenyl)-3-methyl-1-(4-methylphenyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 660166
3-hex-1-ynyl-5H-indazolo[2,3-a][3,1]benzoxazine
CID 16745780
3-(1-octynyl)-5H-indazolo[3,2-b]benzo[d][1,3]oxazine
CID 16746132
3-pent-1-ynyl-5H-indazolo[2,3-a][3,1]benzoxazine
CID 23640972

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-1-(4-ethylphenyl)-5-methyl-3-propan-2-yloxypyrazole?
The IUPAC name of 4-benzyl-1-(4-ethylphenyl)-5-methyl-3-propan-2-yloxypyrazole (CID 118430639) is 4-benzyl-1-(4-ethylphenyl)-5-methyl-3-propan-2-yloxypyrazole.
What is the SMILES notation for 4-benzyl-1-(4-ethylphenyl)-5-methyl-3-propan-2-yloxypyrazole?
The canonical SMILES for 4-benzyl-1-(4-ethylphenyl)-5-methyl-3-propan-2-yloxypyrazole is CCc1ccc(-n2nc(OC(C)C)c(Cc3ccccc3)c2C)cc1.
What is the InChIKey of 4-benzyl-1-(4-ethylphenyl)-5-methyl-3-propan-2-yloxypyrazole?
The InChIKey is MURXFTAMMAMDAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O/c1-5-18-11-13-20(14-12-18)24-17(4)21(22(23-24)25-16(2)3)15-19-9-7-6-8-10-19/h6-14,16H,5,15H2,1-4H3.
What are the key properties of 4-benzyl-1-(4-ethylphenyl)-5-methyl-3-propan-2-yloxypyrazole?
4-benzyl-1-(4-ethylphenyl)-5-methyl-3-propan-2-yloxypyrazole has a molecular weight of 334.46 g/mol, XLogP of 5.12, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-1-(4-ethylphenyl)-5-methyl-3-propan-2-yloxypyrazole is sourced from PubChem (CID 118430639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).