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Home Carbonyls 4-(pyrrolidine-1-carbonyl)-1H-pyrazole hydrochloride

4-(pyrrolidine-1-carbonyl)-1H-pyrazole hydrochloride

CAS No.:
1311316-59-2
Catalog Number:
AG01AH8L
Molecular Formula:
C8H12ClN3O
Molecular Weight:
201.6534
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Product Description
Catalog Number:
AG01AH8L
Chemical Name:
4-(pyrrolidine-1-carbonyl)-1H-pyrazole hydrochloride
CAS Number:
1311316-59-2
Molecular Formula:
C8H12ClN3O
Molecular Weight:
201.6534
MDL Number:
MFCD18483247
IUPAC Name:
1H-pyrazol-4-yl(pyrrolidin-1-yl)methanone;hydrochloride
InChI:
InChI=1S/C8H11N3O.ClH/c12-8(7-5-9-10-6-7)11-3-1-2-4-11;/h5-6H,1-4H2,(H,9,10);1H
InChI Key:
HGKBYIYZHKPSJG-UHFFFAOYSA-N
SMILES:
O=C(c1c[nH]nc1)N1CCCC1.Cl
Properties
Complexity:
177  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.067g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
201.654g/mol
Monoisotopic Mass:
201.067g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
49A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties