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1177204-21-5 | "5-methyl-1-(4-oxo-3,4,5,6,7,8-hexahydroquinazolin-2-yl)-1H-pyrazole-4-carboxylic acid"
CAS No: 1177204-21-5 Catalog No: AG01FLTZ MDL No:MFCD10005881
Product Description
Catalog Number:
AG01FLTZ
Chemical Name:
"5-methyl-1-(4-oxo-3,4,5,6,7,8-hexahydroquinazolin-2-yl)-1H-pyrazole-4-carboxylic acid"
CAS Number:
1177204-21-5
Molecular Formula:
C13H14N4O3
Molecular Weight:
274.2753
MDL Number:
MFCD10005881
IUPAC Name:
5-methyl-1-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)pyrazole-4-carboxylic acid
InChI:
InChI=1S/C13H14N4O3/c1-7-9(12(19)20)6-14-17(7)13-15-10-5-3-2-4-8(10)11(18)16-13/h6H,2-5H2,1H3,(H,19,20)(H,15,16,18)
InChI Key:
RPNZSPFGJGPTRZ-UHFFFAOYSA-N
SMILES:
OC(=O)c1cnn(c1C)c1nc2CCCCc2c(=O)[nH]1
Properties
Complexity:
526
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.107g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
274.28g/mol
Monoisotopic Mass:
274.107g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
96.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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