Home Carboxys 1-(1-cyclopropylethyl)-5-methyl-1H-pyrazole-3-carboxylic acid

1-(1-cyclopropylethyl)-5-methyl-1H-pyrazole-3-carboxylic acid

CAS No.:
1432680-82-4
Catalog Number:
AG01A41Q
Molecular Formula:
C10H14N2O2
Molecular Weight:
194.2304
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Product Description
Catalog Number:
AG01A41Q
Chemical Name:
1-(1-cyclopropylethyl)-5-methyl-1H-pyrazole-3-carboxylic acid
CAS Number:
1432680-82-4
Molecular Formula:
C10H14N2O2
Molecular Weight:
194.2304
MDL Number:
MFCD24369096
IUPAC Name:
1-(1-cyclopropylethyl)-5-methylpyrazole-3-carboxylic acid
InChI:
InChI=1S/C10H14N2O2/c1-6-5-9(10(13)14)11-12(6)7(2)8-3-4-8/h5,7-8H,3-4H2,1-2H3,(H,13,14)
InChI Key:
DHYDNNBBTZBCNI-UHFFFAOYSA-N
SMILES:
CC(n1nc(cc1C)C(=O)O)C1CC1
Properties
Complexity:
240  
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:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties