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1004303-48-3 | 1H-Pyrazole-3-methanamine, 5-(4-pyridinyl)-
CAS No: 1004303-48-3 Catalog No: AG0001YJ MDL No:MFCD22205846
Product Description
Catalog Number:
AG0001YJ
Chemical Name:
1H-Pyrazole-3-methanamine, 5-(4-pyridinyl)-
CAS Number:
1004303-48-3
Molecular Formula:
C9H10N4
Molecular Weight:
174.2025
MDL Number:
MFCD22205846
IUPAC Name:
(3-pyridin-4-yl-1H-pyrazol-5-yl)methanamine
InChI:
InChI=1S/C9H10N4/c10-6-8-5-9(13-12-8)7-1-3-11-4-2-7/h1-5H,6,10H2,(H,12,13)
InChI Key:
RNRVXVQGZVKOAG-UHFFFAOYSA-N
SMILES:
NCc1cc([nH]n1)c1ccncc1
Properties
Complexity:
156
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.091g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
174.207g/mol
Monoisotopic Mass:
174.091g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
67.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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