methyl 2-[4-[4-(hydroxymethyl)phenyl]-1,5-dimethylpyrazol-3-yl]acetate

C15H18N2O3 — CID 166385528

IUPACmethyl 2-[4-[4-(hydroxymethyl)phenyl]-1,5-dimethylpyrazol-3-yl]acetate
SMILESCOC(=O)Cc1nn(C)c(C)c1-c1ccc(CO)cc1
InChIInChI=1S/C15H18N2O3/c1-10-15(12-6-4-11(9-18)5-7-12)13(16-17(10)2)8-14(19)20-3/h4-7,18H,8-9H2,1-3H3
InChIKeyGWQSJZWNBZDBAJ-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.60
Rot. Bonds4

About methyl 2-[4-[4-(hydroxymethyl)phenyl]-1,5-dimethylpyrazol-3-yl]acetate

methyl 2-[4-[4-(hydroxymethyl)phenyl]-1,5-dimethylpyrazol-3-yl]acetate (PubChem CID 166385528) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is methyl 2-[4-[4-(hydroxymethyl)phenyl]-1,5-dimethylpyrazol-3-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[4-(hydroxymethyl)phenyl]-1,5-dimethylpyrazol-3-yl]acetate
PubChem CID166385528
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Namemethyl 2-[4-[4-(hydroxymethyl)phenyl]-1,5-dimethylpyrazol-3-yl]acetate
SMILESCOC(=O)Cc1nn(C)c(C)c1-c1ccc(CO)cc1
InChIInChI=1S/C15H18N2O3/c1-10-15(12-6-4-11(9-18)5-7-12)13(16-17(10)2)8-14(19)20-3/h4-7,18H,8-9H2,1-3H3
InChIKeyGWQSJZWNBZDBAJ-UHFFFAOYSA-N
XLogP1.60
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[2,3,5,6-tetrafluoro-4-[4-(hydroxymethyl)phenyl]phenyl]acetate
CID 88583052
[1-[[4-(1,3,5-trimethylpyrazol-4-yl)phenyl]methyl]pyrazol-4-yl]methanol
CID 166240170
methyl 2-[4-(2,4,6-trimethylphenyl)phenyl]acetate
CID 143366295
methyl 2-(5-bromo-1-methylindazol-3-yl)acetate
CID 129278070
methyl 5-amino-4-(4-ethylphenyl)-1-methylpyrazole-3-carboxylate
CID 82089853
methyl 2-[4-(4-ethylphenyl)phenyl]acetate
CID 20610301
methyl 2-[4-(4-hydroxyphenyl)phenyl]acetate
CID 86088038
methyl 5-chloro-4-[3-(hydroxymethyl)-1,5-dimethylpyrazol-4-yl]-3-methyl-1H-indole-2-carboxylate
CID 155412988
[4-(1-methyltetrazol-5-yl)phenyl]methanol
CID 84771469
methyl 2-(1-methylpyrazol-3-yl)acetate
CID 13269736
1-(bromomethyl)-4-methylbenzene;methyl 2-(4-methylphenyl)acetate
CID 158061256
methyl 2-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]acetate
CID 168910064

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[4-(hydroxymethyl)phenyl]-1,5-dimethylpyrazol-3-yl]acetate?
The IUPAC name of methyl 2-[4-[4-(hydroxymethyl)phenyl]-1,5-dimethylpyrazol-3-yl]acetate (CID 166385528) is methyl 2-[4-[4-(hydroxymethyl)phenyl]-1,5-dimethylpyrazol-3-yl]acetate.
What is the SMILES notation for methyl 2-[4-[4-(hydroxymethyl)phenyl]-1,5-dimethylpyrazol-3-yl]acetate?
The canonical SMILES for methyl 2-[4-[4-(hydroxymethyl)phenyl]-1,5-dimethylpyrazol-3-yl]acetate is COC(=O)Cc1nn(C)c(C)c1-c1ccc(CO)cc1.
What is the InChIKey of methyl 2-[4-[4-(hydroxymethyl)phenyl]-1,5-dimethylpyrazol-3-yl]acetate?
The InChIKey is GWQSJZWNBZDBAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-10-15(12-6-4-11(9-18)5-7-12)13(16-17(10)2)8-14(19)20-3/h4-7,18H,8-9H2,1-3H3.
What are the key properties of methyl 2-[4-[4-(hydroxymethyl)phenyl]-1,5-dimethylpyrazol-3-yl]acetate?
methyl 2-[4-[4-(hydroxymethyl)phenyl]-1,5-dimethylpyrazol-3-yl]acetate has a molecular weight of 274.32 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[4-(hydroxymethyl)phenyl]-1,5-dimethylpyrazol-3-yl]acetate is sourced from PubChem (CID 166385528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).