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Methyl 3-cyclopropyl-1h-pyrazole-5-carboxylate

CAS No.:
1036733-11-5
Catalog Number:
AG0092Y8
Molecular Formula:
C8H10N2O2
Molecular Weight:
166.1772
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
1 week
United States
$219
- +
Product Description
Catalog Number:
AG0092Y8
Chemical Name:
Methyl 3-cyclopropyl-1h-pyrazole-5-carboxylate
CAS Number:
1036733-11-5
Molecular Formula:
C8H10N2O2
Molecular Weight:
166.1772
MDL Number:
MFCD12188841
IUPAC Name:
methyl 5-cyclopropyl-1H-pyrazole-3-carboxylate
InChI:
InChI=1S/C8H10N2O2/c1-12-8(11)7-4-6(9-10-7)5-2-3-5/h4-5H,2-3H2,1H3,(H,9,10)
InChI Key:
JTJFTOJFVQTOQD-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc([nH]n1)C1CC1
Properties
Complexity:
192  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.074g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
166.18g/mol
Monoisotopic Mass:
166.074g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties