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Chemical ID: 5784613
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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