Home Carboxys 3-(1-butyl-3,5-dimethyl-1H-pyrazol-4-yl)-1H-pyrazole-5-carboxylic acid

3-(1-butyl-3,5-dimethyl-1H-pyrazol-4-yl)-1H-pyrazole-5-carboxylic acid

CAS No.:
890624-27-8
Catalog Number:
AG019UEP
Molecular Formula:
C13H18N4O2
Molecular Weight:
262.3076
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Product Description
Catalog Number:
AG019UEP
Chemical Name:
3-(1-butyl-3,5-dimethyl-1H-pyrazol-4-yl)-1H-pyrazole-5-carboxylic acid
CAS Number:
890624-27-8
Molecular Formula:
C13H18N4O2
Molecular Weight:
262.3076
MDL Number:
MFCD07186519
IUPAC Name:
3-(1-butyl-3,5-dimethylpyrazol-4-yl)-1H-pyrazole-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)
InChI Key:
BSUAMELCXIVJLE-UHFFFAOYSA-N
SMILES:
CCCCn1nc(c(c1C)c1n[nH]c(c1)C(=O)O)C
Properties
Complexity:
326  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.143g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
262.313g/mol
Monoisotopic Mass:
262.143g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
83.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties