2-[[1-(2,5-dimethylphenyl)-3-phenylpyrazol-4-yl]methyl-methylamino]ethanol

C21H25N3O — CID 42347304

IUPAC2-[[1-(2,5-dimethylphenyl)-3-phenylpyrazol-4-yl]methyl-methylamino]ethanol
SMILESCc1ccc(C)c(-n2cc(CN(C)CCO)c(-c3ccccc3)n2)c1
InChIInChI=1S/C21H25N3O/c1-16-9-10-17(2)20(13-16)24-15-19(14-23(3)11-12-25)21(22-24)18-7-5-4-6-8-18/h4-10,13,15,25H,11-12,14H2,1-3H3
InChIKeyHZUKFQXXTYRFPO-UHFFFAOYSA-N
MW335.45 g/mol
LogP3.58
Rot. Bonds6

About 2-[[1-(2,5-dimethylphenyl)-3-phenylpyrazol-4-yl]methyl-methylamino]ethanol

2-[[1-(2,5-dimethylphenyl)-3-phenylpyrazol-4-yl]methyl-methylamino]ethanol (PubChem CID 42347304) has the molecular formula C21H25N3O and a molecular weight of 335.45 g/mol. Its IUPAC name is 2-[[1-(2,5-dimethylphenyl)-3-phenylpyrazol-4-yl]methyl-methylamino]ethanol.

Molecular Properties

Compound Name2-[[1-(2,5-dimethylphenyl)-3-phenylpyrazol-4-yl]methyl-methylamino]ethanol
PubChem CID42347304
Molecular FormulaC21H25N3O
Molecular Weight335.45 g/mol
Exact Mass335.20
IUPAC Name2-[[1-(2,5-dimethylphenyl)-3-phenylpyrazol-4-yl]methyl-methylamino]ethanol
SMILESCc1ccc(C)c(-n2cc(CN(C)CCO)c(-c3ccccc3)n2)c1
InChIInChI=1S/C21H25N3O/c1-16-9-10-17(2)20(13-16)24-15-19(14-23(3)11-12-25)21(22-24)18-7-5-4-6-8-18/h4-10,13,15,25H,11-12,14H2,1-3H3
InChIKeyHZUKFQXXTYRFPO-UHFFFAOYSA-N
XLogP3.58
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2,5-dimethylphenyl)-3-phenylpyrazol-4-yl]methyl-methylamino]ethanol?
The IUPAC name of 2-[[1-(2,5-dimethylphenyl)-3-phenylpyrazol-4-yl]methyl-methylamino]ethanol (CID 42347304) is 2-[[1-(2,5-dimethylphenyl)-3-phenylpyrazol-4-yl]methyl-methylamino]ethanol.
What is the SMILES notation for 2-[[1-(2,5-dimethylphenyl)-3-phenylpyrazol-4-yl]methyl-methylamino]ethanol?
The canonical SMILES for 2-[[1-(2,5-dimethylphenyl)-3-phenylpyrazol-4-yl]methyl-methylamino]ethanol is Cc1ccc(C)c(-n2cc(CN(C)CCO)c(-c3ccccc3)n2)c1.
What is the InChIKey of 2-[[1-(2,5-dimethylphenyl)-3-phenylpyrazol-4-yl]methyl-methylamino]ethanol?
The InChIKey is HZUKFQXXTYRFPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O/c1-16-9-10-17(2)20(13-16)24-15-19(14-23(3)11-12-25)21(22-24)18-7-5-4-6-8-18/h4-10,13,15,25H,11-12,14H2,1-3H3.
What are the key properties of 2-[[1-(2,5-dimethylphenyl)-3-phenylpyrazol-4-yl]methyl-methylamino]ethanol?
2-[[1-(2,5-dimethylphenyl)-3-phenylpyrazol-4-yl]methyl-methylamino]ethanol has a molecular weight of 335.45 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2,5-dimethylphenyl)-3-phenylpyrazol-4-yl]methyl-methylamino]ethanol is sourced from PubChem (CID 42347304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).