methyl 2-[3-(1-cyclopentylpyrazol-4-yl)-4-hydroxyphenyl]acetate

C17H20N2O3 — CID 171369408

IUPACmethyl 2-[3-(1-cyclopentylpyrazol-4-yl)-4-hydroxyphenyl]acetate
SMILESCOC(=O)Cc1ccc(O)c(-c2cnn(C3CCCC3)c2)c1
InChIInChI=1S/C17H20N2O3/c1-22-17(21)9-12-6-7-16(20)15(8-12)13-10-18-19(11-13)14-4-2-3-5-14/h6-8,10-11,14,20H,2-5,9H2,1H3
InChIKeyLIOJGWPMYRJZPZ-UHFFFAOYSA-N
MW300.36 g/mol
LogP3.09
Rot. Bonds4

About methyl 2-[3-(1-cyclopentylpyrazol-4-yl)-4-hydroxyphenyl]acetate

methyl 2-[3-(1-cyclopentylpyrazol-4-yl)-4-hydroxyphenyl]acetate (PubChem CID 171369408) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is methyl 2-[3-(1-cyclopentylpyrazol-4-yl)-4-hydroxyphenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[3-(1-cyclopentylpyrazol-4-yl)-4-hydroxyphenyl]acetate
PubChem CID171369408
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Namemethyl 2-[3-(1-cyclopentylpyrazol-4-yl)-4-hydroxyphenyl]acetate
SMILESCOC(=O)Cc1ccc(O)c(-c2cnn(C3CCCC3)c2)c1
InChIInChI=1S/C17H20N2O3/c1-22-17(21)9-12-6-7-16(20)15(8-12)13-10-18-19(11-13)14-4-2-3-5-14/h6-8,10-11,14,20H,2-5,9H2,1H3
InChIKeyLIOJGWPMYRJZPZ-UHFFFAOYSA-N
XLogP3.09
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-chloro-3-(1-cyclohexylpyrazol-4-yl)phenyl]acetic acid
CID 170835961
2-[3-(1-cyclohexylpyrazol-4-yl)-4-fluorophenyl]acetonitrile
CID 175670119
2-[4-[4-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]pyrazol-1-yl]piperidin-1-yl]phenyl]acetamide;ethane
CID 155740707
methyl 5-amino-2-(1-cyclopropylpyrazol-4-yl)benzoate
CID 162426999
2-(1-cyclobutylpyrazol-4-yl)-5-(trifluoromethyl)phenol
CID 172907045
methyl 2-[4-hydroxy-3-[(2R)-pyrrolidin-2-yl]phenyl]acetate
CID 66519346
1-[4-[4-[4-(2-hydroxyethyl)phenyl]pyrazol-1-yl]piperidin-1-yl]ethanone
CID 166637826
tert-butyl 4-[4-[2-hydroxy-5-(trifluoromethoxy)phenyl]pyrazol-1-yl]piperidine-1-carboxylate
CID 171115707
methyl 2-(4-cycloheptylphenyl)acetate
CID 54417181
4-(1-cyclohexylpyrazol-4-yl)-2,6-dimethylphenol
CID 171921837
methyl 2-[4-[(4-carbamoyl-1-cyclohexylpyrazol-3-yl)amino]phenyl]acetate
CID 144556423
[6-(1-cyclohexylpyrazol-4-yl)naphthalen-2-yl]methanol
CID 172868823

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-(1-cyclopentylpyrazol-4-yl)-4-hydroxyphenyl]acetate?
The IUPAC name of methyl 2-[3-(1-cyclopentylpyrazol-4-yl)-4-hydroxyphenyl]acetate (CID 171369408) is methyl 2-[3-(1-cyclopentylpyrazol-4-yl)-4-hydroxyphenyl]acetate.
What is the SMILES notation for methyl 2-[3-(1-cyclopentylpyrazol-4-yl)-4-hydroxyphenyl]acetate?
The canonical SMILES for methyl 2-[3-(1-cyclopentylpyrazol-4-yl)-4-hydroxyphenyl]acetate is COC(=O)Cc1ccc(O)c(-c2cnn(C3CCCC3)c2)c1.
What is the InChIKey of methyl 2-[3-(1-cyclopentylpyrazol-4-yl)-4-hydroxyphenyl]acetate?
The InChIKey is LIOJGWPMYRJZPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-22-17(21)9-12-6-7-16(20)15(8-12)13-10-18-19(11-13)14-4-2-3-5-14/h6-8,10-11,14,20H,2-5,9H2,1H3.
What are the key properties of methyl 2-[3-(1-cyclopentylpyrazol-4-yl)-4-hydroxyphenyl]acetate?
methyl 2-[3-(1-cyclopentylpyrazol-4-yl)-4-hydroxyphenyl]acetate has a molecular weight of 300.36 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-(1-cyclopentylpyrazol-4-yl)-4-hydroxyphenyl]acetate is sourced from PubChem (CID 171369408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).