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

C16H20N2O3 — CID 115463151

IUPACmethyl 2-[2-[[4-(hydroxymethyl)-3,5-dimethylpyrazol-1-yl]methyl]phenyl]acetate
SMILESCOC(=O)Cc1ccccc1Cn1nc(C)c(CO)c1C
InChIInChI=1S/C16H20N2O3/c1-11-15(10-19)12(2)18(17-11)9-14-7-5-4-6-13(14)8-16(20)21-3/h4-7,19H,8-10H2,1-3H3
InChIKeyYCFYAANCRLOCPM-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.76
Rot. Bonds5

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

methyl 2-[2-[[4-(hydroxymethyl)-3,5-dimethylpyrazol-1-yl]methyl]phenyl]acetate (PubChem CID 115463151) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is methyl 2-[2-[[4-(hydroxymethyl)-3,5-dimethylpyrazol-1-yl]methyl]phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-[[4-(hydroxymethyl)-3,5-dimethylpyrazol-1-yl]methyl]phenyl]acetate
PubChem CID115463151
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Namemethyl 2-[2-[[4-(hydroxymethyl)-3,5-dimethylpyrazol-1-yl]methyl]phenyl]acetate
SMILESCOC(=O)Cc1ccccc1Cn1nc(C)c(CO)c1C
InChIInChI=1S/C16H20N2O3/c1-11-15(10-19)12(2)18(17-11)9-14-7-5-4-6-13(14)8-16(20)21-3/h4-7,19H,8-10H2,1-3H3
InChIKeyYCFYAANCRLOCPM-UHFFFAOYSA-N
XLogP1.76
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[2-[(4-formyl-3,5-dimethylpyrazol-1-yl)methyl]phenyl]acetate
CID 115463136
methyl 3-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]propanoate
CID 63272411
[1-[(2-bromophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methanol
CID 43647395
[3,5-dimethyl-1-[[2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]methanol
CID 115069729
methyl 2-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]benzoate
CID 82969757
methyl 2-[2-(1,3-dihydroisoindol-2-ylmethyl)phenyl]acetate
CID 115462844
3-[1-[(2-hydroxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]propanoic acid
CID 115069748
[1-[(5-chloro-2-methoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]methanol
CID 43647441
methyl 2-[2-(imidazol-1-ylmethyl)phenyl]acetate
CID 70825151
[2-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]phenyl]methanamine
CID 61238142
2-[4-(hydroxymethyl)-3,5-dimethylpyrazol-1-yl]-N-(2-methylphenyl)acetamide
CID 43647377
[5-chloro-1-[(2-chlorophenyl)methyl]-3-methylpyrazol-4-yl]methanol
CID 16769903

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[[4-(hydroxymethyl)-3,5-dimethylpyrazol-1-yl]methyl]phenyl]acetate?
The IUPAC name of methyl 2-[2-[[4-(hydroxymethyl)-3,5-dimethylpyrazol-1-yl]methyl]phenyl]acetate (CID 115463151) is methyl 2-[2-[[4-(hydroxymethyl)-3,5-dimethylpyrazol-1-yl]methyl]phenyl]acetate.
What is the SMILES notation for methyl 2-[2-[[4-(hydroxymethyl)-3,5-dimethylpyrazol-1-yl]methyl]phenyl]acetate?
The canonical SMILES for methyl 2-[2-[[4-(hydroxymethyl)-3,5-dimethylpyrazol-1-yl]methyl]phenyl]acetate is COC(=O)Cc1ccccc1Cn1nc(C)c(CO)c1C.
What is the InChIKey of methyl 2-[2-[[4-(hydroxymethyl)-3,5-dimethylpyrazol-1-yl]methyl]phenyl]acetate?
The InChIKey is YCFYAANCRLOCPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-11-15(10-19)12(2)18(17-11)9-14-7-5-4-6-13(14)8-16(20)21-3/h4-7,19H,8-10H2,1-3H3.
What are the key properties of methyl 2-[2-[[4-(hydroxymethyl)-3,5-dimethylpyrazol-1-yl]methyl]phenyl]acetate?
methyl 2-[2-[[4-(hydroxymethyl)-3,5-dimethylpyrazol-1-yl]methyl]phenyl]acetate has a molecular weight of 288.35 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[[4-(hydroxymethyl)-3,5-dimethylpyrazol-1-yl]methyl]phenyl]acetate is sourced from PubChem (CID 115463151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).