Home Carboxys 1-[2-(piperidin-1-yl)ethyl]-1H-pyrazole-4-carboxylic acid hydrochloride

1-[2-(piperidin-1-yl)ethyl]-1H-pyrazole-4-carboxylic acid hydrochloride

CAS No.:
1311315-56-6
Catalog Number:
AG01AHQE
Molecular Formula:
C11H18ClN3O2
Molecular Weight:
259.7325
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Product Description
Catalog Number:
AG01AHQE
Chemical Name:
1-[2-(piperidin-1-yl)ethyl]-1H-pyrazole-4-carboxylic acid hydrochloride
CAS Number:
1311315-56-6
Molecular Formula:
C11H18ClN3O2
Molecular Weight:
259.7325
MDL Number:
MFCD18785562
IUPAC Name:
1-(2-piperidin-1-ylethyl)pyrazole-4-carboxylic acid;hydrochloride
InChI:
InChI=1S/C11H17N3O2.ClH/c15-11(16)10-8-12-14(9-10)7-6-13-4-2-1-3-5-13;/h8-9H,1-7H2,(H,15,16);1H
InChI Key:
HCBIUFJVFSKXPK-UHFFFAOYSA-N
SMILES:
OC(=O)c1cnn(c1)CCN1CCCCC1.Cl
Properties
Complexity:
241  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.109g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
259.734g/mol
Monoisotopic Mass:
259.109g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
58.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties