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514816-02-5 | 3,5-dimethyl-1-(4-methylbenzyl)-1H-pyrazol-4-amine
CAS No: 514816-02-5 Catalog No: AG00DCPS MDL No:MFCD02056373
Product Description
Catalog Number:
AG00DCPS
Chemical Name:
3,5-dimethyl-1-(4-methylbenzyl)-1H-pyrazol-4-amine
CAS Number:
514816-02-5
Molecular Formula:
C13H17N3
Molecular Weight:
215.2942
MDL Number:
MFCD02056373
IUPAC Name:
3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-amine
InChI:
InChI=1S/C13H17N3/c1-9-4-6-12(7-5-9)8-16-11(3)13(14)10(2)15-16/h4-7H,8,14H2,1-3H3
InChI Key:
NMHFSRKAYXYGFP-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)Cn1nc(c(c1C)N)C
Properties
Complexity:
223
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.142g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
215.3g/mol
Monoisotopic Mass:
215.142g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
43.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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