Home Carboxys 5-cyclopropyl-1-(2-methylpropyl)-1H-pyrazole-4-carboxylic acid

5-cyclopropyl-1-(2-methylpropyl)-1H-pyrazole-4-carboxylic acid

CAS No.:
1152576-11-8
Catalog Number:
AG01A3SV
Molecular Formula:
C11H16N2O2
Molecular Weight:
208.2569
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Product Description
Catalog Number:
AG01A3SV
Chemical Name:
5-cyclopropyl-1-(2-methylpropyl)-1H-pyrazole-4-carboxylic acid
CAS Number:
1152576-11-8
Molecular Formula:
C11H16N2O2
Molecular Weight:
208.2569
MDL Number:
MFCD11185522
IUPAC Name:
5-cyclopropyl-1-(2-methylpropyl)pyrazole-4-carboxylic acid
InChI:
InChI=1S/C11H16N2O2/c1-7(2)6-13-10(8-3-4-8)9(5-12-13)11(14)15/h5,7-8H,3-4,6H2,1-2H3,(H,14,15)
InChI Key:
VFNMMVCYCODIGI-UHFFFAOYSA-N
SMILES:
CC(Cn1ncc(c1C1CC1)C(=O)O)C
Properties
Complexity:
251  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.121g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
208.261g/mol
Monoisotopic Mass:
208.121g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties