200,000+ products from a single source!
sales@angenechem.com
78208-73-8 | 3-Isopropyl-1-methyl-1H-pyrazole-5-carboxylic acid
CAS No: 78208-73-8 Catalog No: AG005D0G MDL No:MFCD07186363
Product Description
Catalog Number:
AG005D0G
Chemical Name:
3-Isopropyl-1-methyl-1H-pyrazole-5-carboxylic acid
CAS Number:
78208-73-8
Molecular Formula:
C8H12N2O2
Molecular Weight:
168.1931
MDL Number:
MFCD07186363
IUPAC Name:
2-methyl-5-propan-2-ylpyrazole-3-carboxylic acid
InChI:
InChI=1S/C8H12N2O2/c1-5(2)6-4-7(8(11)12)10(3)9-6/h4-5H,1-3H3,(H,11,12)
InChI Key:
FJPHBZNCWOYBDN-UHFFFAOYSA-N
SMILES:
CC(c1nn(c(c1)C(=O)O)C)C
Properties
Complexity:
182
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.09g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
168.196g/mol
Monoisotopic Mass:
168.09g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.