Home Carboxys 3-(trimethyl-1H-pyrazol-4-yl)-1H-pyrazole-5-carboxylic acid

3-(trimethyl-1H-pyrazol-4-yl)-1H-pyrazole-5-carboxylic acid

CAS No.:
890624-34-7
Catalog Number:
AG019UDZ
Molecular Formula:
C10H12N4O2
Molecular Weight:
220.2279
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Product Description
Catalog Number:
AG019UDZ
Chemical Name:
3-(trimethyl-1H-pyrazol-4-yl)-1H-pyrazole-5-carboxylic acid
CAS Number:
890624-34-7
Molecular Formula:
C10H12N4O2
Molecular Weight:
220.2279
MDL Number:
MFCD07186517
IUPAC Name:
3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxylic acid
InChI:
InChI=1S/C10H12N4O2/c1-5-9(6(2)14(3)13-5)7-4-8(10(15)16)12-11-7/h4H,1-3H3,(H,11,12)(H,15,16)
InChI Key:
VVLHPIDKUGTZRK-UHFFFAOYSA-N
SMILES:
Cc1nn(c(c1c1n[nH]c(c1)C(=O)O)C)C
Properties
Complexity:
286  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.096g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
220.232g/mol
Monoisotopic Mass:
220.096g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
83.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Properties