Home Carboxys 1-methyl-3-(piperidin-3-yl)-1H-pyrazole-4-carboxylic acid dihydrochloride

1-methyl-3-(piperidin-3-yl)-1H-pyrazole-4-carboxylic acid dihydrochloride

CAS No.:
1808843-57-3
Catalog Number:
AG01C4LX
Molecular Formula:
C10H17Cl2N3O2
Molecular Weight:
282.1669
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Product Description
Catalog Number:
AG01C4LX
Chemical Name:
1-methyl-3-(piperidin-3-yl)-1H-pyrazole-4-carboxylic acid dihydrochloride
CAS Number:
1808843-57-3
Molecular Formula:
C10H17Cl2N3O2
Molecular Weight:
282.1669
MDL Number:
MFCD29763176
IUPAC Name:
1-methyl-3-piperidin-3-ylpyrazole-4-carboxylic acid;dihydrochloride
InChI:
InChI=1S/C10H15N3O2.2ClH/c1-13-6-8(10(14)15)9(12-13)7-3-2-4-11-5-7;;/h6-7,11H,2-5H2,1H3,(H,14,15);2*1H
InChI Key:
JIWDICWWJTYADT-UHFFFAOYSA-N
SMILES:
Cn1cc(c(n1)C1CCCNC1)C(=O)O.Cl.Cl
Properties
Complexity:
247  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.07g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
282.165g/mol
Monoisotopic Mass:
281.07g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
67.2A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties