Home Other Building Blocks 3-(1H-pyrazol-4-yl)aniline

3-(1H-pyrazol-4-yl)aniline

CAS No.:
1170691-45-8
Catalog Number:
AG01A36E
Molecular Formula:
C9H9N3
Molecular Weight:
159.1879
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Product Description
Catalog Number:
AG01A36E
Chemical Name:
3-(1H-pyrazol-4-yl)aniline
CAS Number:
1170691-45-8
Molecular Formula:
C9H9N3
Molecular Weight:
159.1879
MDL Number:
MFCD18334305
IUPAC Name:
3-(1H-pyrazol-4-yl)aniline
InChI:
InChI=1S/C9H9N3/c10-9-3-1-2-7(4-9)8-5-11-12-6-8/h1-6H,10H2,(H,11,12)
InChI Key:
MSVASNFGSQCRCN-UHFFFAOYSA-N
SMILES:
Nc1cccc(c1)c1c[nH]nc1
Properties
Complexity:
149  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
159.08g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
159.192g/mol
Monoisotopic Mass:
159.08g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
54.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties