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1011404-52-6 | 1H-Pyrazole-4-methanamine, 3-(4-methoxyphenyl)-
CAS No: 1011404-52-6 Catalog No: AG0003UD MDL No:MFCD08691452
Product Description
Catalog Number:
AG0003UD
Chemical Name:
1H-Pyrazole-4-methanamine, 3-(4-methoxyphenyl)-
CAS Number:
1011404-52-6
Molecular Formula:
C11H13N3O
Molecular Weight:
203.2404
MDL Number:
MFCD08691452
IUPAC Name:
[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methanamine
InChI:
InChI=1S/C11H13N3O/c1-15-10-4-2-8(3-5-10)11-9(6-12)7-13-14-11/h2-5,7H,6,12H2,1H3,(H,13,14)
InChI Key:
IYARYCHVTBTRFD-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1n[nH]cc1CN
Properties
Complexity:
192
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.106g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
203.245g/mol
Monoisotopic Mass:
203.106g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
63.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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