Chemical ID: 5784613

c1ccc(cc1)Cn2c(cc(n2)c3ccccc3)N
Chemical ID:
5784613
Name [?]:
2-benzyl-5-phenyl-pyrazol-3-amine
SMILES [?]:
c1ccc(cc1)Cn2c(cc(n2)c3ccccc3)N
InChi [?]:
InChI=1/C16H15N3/c17-16-11-15(14-9-5-2-6-10-14)18-19(16)12-13-7-3-1-4-8-13/h1-11H,12,17H2
InChi Info:
AuxInfo=1/0/N:1,16,2,6,15,17,3,5,14,18,10,7,4,13,11,9,19,12,8/E:(3,4)(5,6)(7,8)(9,10)/rA:19nCCCCCCCNCCCNCCCCCCN/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s10;s8d11;s11;s13;d14;s15;d16;d13s17;s9;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H15N3
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:8.99672
Area:448.496
Solvation:-2.21568
Coulombic:-24.3551
Bond Count [?]
All:21
Single:13
Double:8
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:249.311
H-Bond Donors:2
H-Bond Acceptors:1
XLogP:3.84
LogP (Chemaxon):3.34

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Descriptor Annotations

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