methyl 4-(2-methylpyrazol-3-yl)benzoate

C12H12N2O2 — CID 10798753

IUPACmethyl 4-(2-methylpyrazol-3-yl)benzoate
SMILESCOC(=O)c1ccc(-c2ccnn2C)cc1
InChIInChI=1S/C12H12N2O2/c1-14-11(7-8-13-14)9-3-5-10(6-4-9)12(15)16-2/h3-8H,1-2H3
InChIKeyPYEWEFGLTSTRFG-UHFFFAOYSA-N
MW216.24 g/mol
LogP1.87
Rot. Bonds2

About methyl 4-(2-methylpyrazol-3-yl)benzoate

methyl 4-(2-methylpyrazol-3-yl)benzoate (PubChem CID 10798753) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is methyl 4-(2-methylpyrazol-3-yl)benzoate.

Molecular Properties

Compound Namemethyl 4-(2-methylpyrazol-3-yl)benzoate
PubChem CID10798753
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Namemethyl 4-(2-methylpyrazol-3-yl)benzoate
SMILESCOC(=O)c1ccc(-c2ccnn2C)cc1
InChIInChI=1S/C12H12N2O2/c1-14-11(7-8-13-14)9-3-5-10(6-4-9)12(15)16-2/h3-8H,1-2H3
InChIKeyPYEWEFGLTSTRFG-UHFFFAOYSA-N
XLogP1.87
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(2-methylpyrazol-3-yl)benzoate?
The IUPAC name of methyl 4-(2-methylpyrazol-3-yl)benzoate (CID 10798753) is methyl 4-(2-methylpyrazol-3-yl)benzoate.
What is the SMILES notation for methyl 4-(2-methylpyrazol-3-yl)benzoate?
The canonical SMILES for methyl 4-(2-methylpyrazol-3-yl)benzoate is COC(=O)c1ccc(-c2ccnn2C)cc1.
What is the InChIKey of methyl 4-(2-methylpyrazol-3-yl)benzoate?
The InChIKey is PYEWEFGLTSTRFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c1-14-11(7-8-13-14)9-3-5-10(6-4-9)12(15)16-2/h3-8H,1-2H3.
What are the key properties of methyl 4-(2-methylpyrazol-3-yl)benzoate?
methyl 4-(2-methylpyrazol-3-yl)benzoate has a molecular weight of 216.24 g/mol, XLogP of 1.87, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2-methylpyrazol-3-yl)benzoate is sourced from PubChem (CID 10798753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).