methyl 2-[4-[(4-hydroxypyrazol-1-yl)methyl]phenyl]acetate

C13H14N2O3 — CID 170835877

IUPACmethyl 2-[4-[(4-hydroxypyrazol-1-yl)methyl]phenyl]acetate
SMILESCOC(=O)Cc1ccc(Cn2cc(O)cn2)cc1
InChIInChI=1S/C13H14N2O3/c1-18-13(17)6-10-2-4-11(5-3-10)8-15-9-12(16)7-14-15/h2-5,7,9,16H,6,8H2,1H3
InChIKeyRMZVBVMLYCLYDJ-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.35
Rot. Bonds4

About methyl 2-[4-[(4-hydroxypyrazol-1-yl)methyl]phenyl]acetate

methyl 2-[4-[(4-hydroxypyrazol-1-yl)methyl]phenyl]acetate (PubChem CID 170835877) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is methyl 2-[4-[(4-hydroxypyrazol-1-yl)methyl]phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[(4-hydroxypyrazol-1-yl)methyl]phenyl]acetate
PubChem CID170835877
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Namemethyl 2-[4-[(4-hydroxypyrazol-1-yl)methyl]phenyl]acetate
SMILESCOC(=O)Cc1ccc(Cn2cc(O)cn2)cc1
InChIInChI=1S/C13H14N2O3/c1-18-13(17)6-10-2-4-11(5-3-10)8-15-9-12(16)7-14-15/h2-5,7,9,16H,6,8H2,1H3
InChIKeyRMZVBVMLYCLYDJ-UHFFFAOYSA-N
XLogP1.35
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[5-[(4-methylpyrazol-1-yl)methyl]-2-pyridinyl]acetate
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methyl 2-[4-(4-hydroxyphenyl)phenyl]acetate
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2-(4-hydroxyphenyl)acetic acid;methyl 2-(4-hydroxyphenyl)acetate
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methyl 1-[(4-bromophenyl)methyl]pyrazole-4-carboxylate
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2-[4-[(4-chloropyrazol-1-yl)methyl]phenyl]acetohydrazide
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methyl 2-[4-(tritiomethyl)phenyl]acetate
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1-[(2-hydroxyphenyl)methyl]pyrazol-4-ol
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3-O-[[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]methyl] 1-O-ethyl propanedioate
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CID 170580245

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[(4-hydroxypyrazol-1-yl)methyl]phenyl]acetate?
The IUPAC name of methyl 2-[4-[(4-hydroxypyrazol-1-yl)methyl]phenyl]acetate (CID 170835877) is methyl 2-[4-[(4-hydroxypyrazol-1-yl)methyl]phenyl]acetate.
What is the SMILES notation for methyl 2-[4-[(4-hydroxypyrazol-1-yl)methyl]phenyl]acetate?
The canonical SMILES for methyl 2-[4-[(4-hydroxypyrazol-1-yl)methyl]phenyl]acetate is COC(=O)Cc1ccc(Cn2cc(O)cn2)cc1.
What is the InChIKey of methyl 2-[4-[(4-hydroxypyrazol-1-yl)methyl]phenyl]acetate?
The InChIKey is RMZVBVMLYCLYDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3/c1-18-13(17)6-10-2-4-11(5-3-10)8-15-9-12(16)7-14-15/h2-5,7,9,16H,6,8H2,1H3.
What are the key properties of methyl 2-[4-[(4-hydroxypyrazol-1-yl)methyl]phenyl]acetate?
methyl 2-[4-[(4-hydroxypyrazol-1-yl)methyl]phenyl]acetate has a molecular weight of 246.27 g/mol, XLogP of 1.35, 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-hydroxypyrazol-1-yl)methyl]phenyl]acetate is sourced from PubChem (CID 170835877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).