Text Search
Structure Search

2-(3-methoxyphenyl)-5-methylpyrazole-3-carboxylic acid

2-(3-methoxyphenyl)-5-methylpyrazole-3-carboxylic acid

CAS: 1401344-11-3

Formula: C12H12N2O3

SMILES: COC1=CC=CC(=C1)N1N=C(C)C=C1C(O)=O

IUPAC: 1-(3-methoxyphenyl)-3-methyl-1H-pyrazole-5-carboxylic acid

InChI: InChI=1S/C12H12N2O3/c1-8-6-11(12(15)16)14(13-8)9-4-3-5-10(7-9)17-2/h3-7H,1-2H3,(H,15,16)

Composition: C (62.06%), H (5.21%), N (12.06%), O (20.67%)

Molar Mass: 232.239

Atom Count: 29

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 232.084792254
Formal Charge 0
FSP3 0.17
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey MDACRGDBERMROF-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 62.61
Topological Polar Surface Area 64.35
Polarizability 24.03
Ring Count 2
Rotatable Bond Count 3

Suppliers

No suppliers are currently stocking this item.