1-(4-fluorophenyl)-1',3'-dimethyl-[3,4'-bipyrazole]-4-carboxylic acid

1-(4-fluorophenyl)-1',3'-dimethyl-[3,4'-bipyrazole]-4-carboxylic acid

CAS: 1006334-14-0

Formula: C15H13FN4O2

SMILES: CN1C=C(C(C)=N1)C1=NN(C=C1C(O)=O)C1=CC=C(F)C=C1

IUPAC: 1-(4-fluorophenyl)-1',3'-dimethyl-1H,1'H-[3,4'-bipyrazole]-4-carboxylic acid

InChI: InChI=1S/C15H13FN4O2/c1-9-12(7-19(2)17-9)14-13(15(21)22)8-20(18-14)11-5-3-10(16)4-6-11/h3-8H,1-2H3,(H,21,22)

Composition: C (60.00%), H (4.36%), F (6.33%), N (18.66%), O (10.66%)

Molar Mass: 300.293

Atom Count: 35

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	300.102253838
Formal Charge	0
FSP3	0.13
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	CAZYVMXZPIHFIQ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	90.15
Topological Polar Surface Area	72.94
Polarizability	30.69
Ring Count	3
Rotatable Bond Count	3

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