1-[3-[1-(2,5-dimethylphenyl)butan-2-yl]-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]ethanol

C24H32N2O — CID 143656556

IUPAC1-[3-[1-(2,5-dimethylphenyl)butan-2-yl]-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]ethanol
SMILESCCC(Cc1cc(C)ccc1C)C1CC(c2ccc(C)cc2)=NN1C(C)O
InChIInChI=1S/C24H32N2O/c1-6-20(14-22-13-17(3)7-10-18(22)4)24-15-23(25-26(24)19(5)27)21-11-8-16(2)9-12-21/h7-13,19-20,24,27H,6,14-15H2,1-5H3
InChIKeyANTPYEUGYAFDOW-UHFFFAOYSA-N
MW364.53 g/mol
LogP5.00
Rot. Bonds6

About 1-[3-[1-(2,5-dimethylphenyl)butan-2-yl]-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]ethanol

1-[3-[1-(2,5-dimethylphenyl)butan-2-yl]-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]ethanol (PubChem CID 143656556) has the molecular formula C24H32N2O and a molecular weight of 364.53 g/mol. Its IUPAC name is 1-[3-[1-(2,5-dimethylphenyl)butan-2-yl]-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]ethanol.

Molecular Properties

Compound Name1-[3-[1-(2,5-dimethylphenyl)butan-2-yl]-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]ethanol
PubChem CID143656556
Molecular FormulaC24H32N2O
Molecular Weight364.53 g/mol
Exact Mass364.25
IUPAC Name1-[3-[1-(2,5-dimethylphenyl)butan-2-yl]-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]ethanol
SMILESCCC(Cc1cc(C)ccc1C)C1CC(c2ccc(C)cc2)=NN1C(C)O
InChIInChI=1S/C24H32N2O/c1-6-20(14-22-13-17(3)7-10-18(22)4)24-15-23(25-26(24)19(5)27)21-11-8-16(2)9-12-21/h7-13,19-20,24,27H,6,14-15H2,1-5H3
InChIKeyANTPYEUGYAFDOW-UHFFFAOYSA-N
XLogP5.00
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.53
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[1-(2,5-dimethylphenyl)butan-2-yl]-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]ethanol?
The IUPAC name of 1-[3-[1-(2,5-dimethylphenyl)butan-2-yl]-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]ethanol (CID 143656556) is 1-[3-[1-(2,5-dimethylphenyl)butan-2-yl]-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]ethanol.
What is the SMILES notation for 1-[3-[1-(2,5-dimethylphenyl)butan-2-yl]-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]ethanol?
The canonical SMILES for 1-[3-[1-(2,5-dimethylphenyl)butan-2-yl]-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]ethanol is CCC(Cc1cc(C)ccc1C)C1CC(c2ccc(C)cc2)=NN1C(C)O.
What is the InChIKey of 1-[3-[1-(2,5-dimethylphenyl)butan-2-yl]-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]ethanol?
The InChIKey is ANTPYEUGYAFDOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O/c1-6-20(14-22-13-17(3)7-10-18(22)4)24-15-23(25-26(24)19(5)27)21-11-8-16(2)9-12-21/h7-13,19-20,24,27H,6,14-15H2,1-5H3.
What are the key properties of 1-[3-[1-(2,5-dimethylphenyl)butan-2-yl]-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]ethanol?
1-[3-[1-(2,5-dimethylphenyl)butan-2-yl]-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]ethanol has a molecular weight of 364.53 g/mol, XLogP of 5.00, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[1-(2,5-dimethylphenyl)butan-2-yl]-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]ethanol is sourced from PubChem (CID 143656556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).