Text Search
Structure Search

5-(4-butoxyphenyl)-1H-pyrazole-3-carboxylic acid

5-(4-butoxyphenyl)-1H-pyrazole-3-carboxylic acid

CAS: 1239866-42-2

Formula: C14H16N2O3

SMILES: CCCCOC1=CC=C(C=C1)C1=CC(=NN1)C(O)=O

IUPAC: 5-(4-butoxyphenyl)-1H-pyrazole-3-carboxylic acid

InChI: InChI=1S/C14H16N2O3/c1-2-3-8-19-11-6-4-10(5-7-11)12-9-13(14(17)18)16-15-12/h4-7,9H,2-3,8H2,1H3,(H,15,16)(H,17,18)

Composition: C (64.60%), H (6.20%), N (10.76%), O (18.44%)

Molar Mass: 260.293

Atom Count: 35

Heavy Atom Count: 19

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 260.116092383
Formal Charge 0
FSP3 0.29
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey MGQKPEJEAZMLDQ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 71.98
Topological Polar Surface Area 75.21
Polarizability 28.45
Ring Count 2
Rotatable Bond Count 6

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
MATRIX SCIENTIFIC
Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 1239866-42-2 $202.14$202.14
Request Quote