1'-butyl-3',5'-dimethyl-2H-[3,4'-bipyrazole]-5-carboxylic acid

1'-butyl-3',5'-dimethyl-2H-[3,4'-bipyrazole]-5-carboxylic acid

CAS: 890624-27-8

Formula: C13H18N4O2

SMILES: CCCCN1N=C(C)C(=C1C)C1=CC(=NN1)C(O)=O

IUPAC: 1'-butyl-3',5'-dimethyl-1'H,2H-[3,4'-bipyrazole]-5-carboxylic acid

InChI: InChI=1S/C13H18N4O2/c1-4-5-6-17-9(3)12(8(2)16-17)10-7-11(13(18)19)15-14-10/h7H,4-6H2,1-3H3,(H,14,15)(H,18,19)

Composition: C (59.53%), H (6.92%), N (21.36%), O (12.20%)

Molar Mass: 262.313

Atom Count: 37

Heavy Atom Count: 19

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	262.142975836
Formal Charge	0
FSP3	0.46
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	BSUAMELCXIVJLE-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	84.16
Topological Polar Surface Area	83.8
Polarizability	28.04
Ring Count	2
Rotatable Bond Count	5

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