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

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

CAS No.:
1248355-30-7
Catalog Number:
AG01A3MT
Molecular Formula:
C10H14N2O2
Molecular Weight:
194.2304
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Product Description
Catalog Number:
AG01A3MT
Chemical Name:
5-cyclopropyl-1-(propan-2-yl)-1H-pyrazole-4-carboxylic acid
CAS Number:
1248355-30-7
Molecular Formula:
C10H14N2O2
Molecular Weight:
194.2304
MDL Number:
MFCD14609243
IUPAC Name:
5-cyclopropyl-1-propan-2-ylpyrazole-4-carboxylic acid
InChI:
InChI=1S/C10H14N2O2/c1-6(2)12-9(7-3-4-7)8(5-11-12)10(13)14/h5-7H,3-4H2,1-2H3,(H,13,14)
InChI Key:
KQMAYQYUXRQMSL-UHFFFAOYSA-N
SMILES:
CC(n1ncc(c1C1CC1)C(=O)O)C
Properties
Complexity:
238  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.106g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
194.234g/mol
Monoisotopic Mass:
194.106g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Properties