Name: Name:1-(2,5-difluoro-4-methoxyphenyl)-5-propyl-1H-pyrazole-4-carboxylic acid
Brand: Angene
SKU: AG01A6NR
Rating: 90 (10 reviews)

1-(2,5-difluoro-4-methoxyphenyl)-5-propyl-1H-pyrazole-4-carboxylic acid

CAS No.:

1461709-16-9

Catalog Number:

AG01A6NR

Molecular Formula:

C14H14F2N2O3

Molecular Weight:

296.2694

Catalog Number:

AG01A6NR

Chemical Name:

1-(2,5-difluoro-4-methoxyphenyl)-5-propyl-1H-pyrazole-4-carboxylic acid

CAS Number:

1461709-16-9

Molecular Formula:

C14H14F2N2O3

Molecular Weight:

296.2694

MDL Number:

MFCD25970367

IUPAC Name:

1-(2,5-difluoro-4-methoxyphenyl)-5-propylpyrazole-4-carboxylic acid

InChI:

InChI=1S/C14H14F2N2O3/c1-3-4-11-8(14(19)20)7-17-18(11)12-5-10(16)13(21-2)6-9(12)15/h5-7H,3-4H2,1-2H3,(H,19,20)

InChI Key:

VWNOKSBSZGVZQS-UHFFFAOYSA-N

SMILES:

CCCc1c(cnn1c1cc(F)c(cc1F)OC)C(=O)O

Complexity:

372

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

296.097g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

296.274g/mol

Monoisotopic Mass:

296.097g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

64.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.8