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

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

CAS No.:
1461706-96-6
Catalog Number:
AG01A66Y
Molecular Formula:
C9H14ClN3O2
Molecular Weight:
231.6794
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Product Description
Catalog Number:
AG01A66Y
Chemical Name:
1-(piperidin-3-yl)-1H-pyrazole-4-carboxylic acid hydrochloride
CAS Number:
1461706-96-6
Molecular Formula:
C9H14ClN3O2
Molecular Weight:
231.6794
MDL Number:
MFCD20731715
IUPAC Name:
1-piperidin-3-ylpyrazole-4-carboxylic acid;hydrochloride
InChI:
InChI=1S/C9H13N3O2.ClH/c13-9(14)7-4-11-12(6-7)8-2-1-3-10-5-8;/h4,6,8,10H,1-3,5H2,(H,13,14);1H
InChI Key:
LGGMWIBMDGLKIQ-UHFFFAOYSA-N
SMILES:
OC(=O)c1cnn(c1)C1CCCNC1.Cl
Properties
Complexity:
222  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.077g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
231.68g/mol
Monoisotopic Mass:
231.077g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
67.2A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties