Home Carboxys 1-[(cyclopentylcarbamoyl)methyl]-1H-pyrazole-4-carboxylic acid

1-[(cyclopentylcarbamoyl)methyl]-1H-pyrazole-4-carboxylic acid

CAS No.:
1006454-97-2
Catalog Number:
AG01A1HC
Molecular Formula:
C11H15N3O3
Molecular Weight:
237.2551
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Product Description
Catalog Number:
AG01A1HC
Chemical Name:
1-[(cyclopentylcarbamoyl)methyl]-1H-pyrazole-4-carboxylic acid
CAS Number:
1006454-97-2
Molecular Formula:
C11H15N3O3
Molecular Weight:
237.2551
MDL Number:
MFCD06808150
IUPAC Name:
1-[2-(cyclopentylamino)-2-oxoethyl]pyrazole-4-carboxylic acid
InChI:
InChI=1S/C11H15N3O3/c15-10(13-9-3-1-2-4-9)7-14-6-8(5-12-14)11(16)17/h5-6,9H,1-4,7H2,(H,13,15)(H,16,17)
InChI Key:
MQAHGCYHVSCPEZ-UHFFFAOYSA-N
SMILES:
O=C(Cn1ncc(c1)C(=O)O)NC1CCCC1
Properties
Complexity:
302  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.111g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
237.259g/mol
Monoisotopic Mass:
237.111g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
84.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  
Properties