Home Other Building Blocks 2-[4-(3,3-dimethylbutanamido)-1H-pyrazol-1-yl]acetic acid

2-[4-(3,3-dimethylbutanamido)-1H-pyrazol-1-yl]acetic acid

CAS No.:
1178852-34-0
Catalog Number:
AG019PT4
Molecular Formula:
C11H17N3O3
Molecular Weight:
239.2710
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Product Description
Catalog Number:
AG019PT4
Chemical Name:
2-[4-(3,3-dimethylbutanamido)-1H-pyrazol-1-yl]acetic acid
CAS Number:
1178852-34-0
Molecular Formula:
C11H17N3O3
Molecular Weight:
239.2710
MDL Number:
MFCD12853423
IUPAC Name:
2-[4-(3,3-dimethylbutanoylamino)pyrazol-1-yl]acetic acid
InChI:
InChI=1S/C11H17N3O3/c1-11(2,3)4-9(15)13-8-5-12-14(6-8)7-10(16)17/h5-6H,4,7H2,1-3H3,(H,13,15)(H,16,17)
InChI Key:
KVBUAVBNICMFJA-UHFFFAOYSA-N
SMILES:
O=C(CC(C)(C)C)Nc1cnn(c1)CC(=O)O
Properties
Complexity:
299  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.127g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
239.275g/mol
Monoisotopic Mass:
239.127g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
84.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Properties