Chemical ID: 4507404

c1ccc(cc1)c2cc(n(n2)Cc3cccc(c3)Cl)N
Chemical ID:
4507404
Name [?]:
2-[(3-chlorophenyl)methyl]-5-phenyl-pyrazol-3-amine
SMILES [?]:
c1ccc(cc1)c2cc(n(n2)Cc3cccc(c3)Cl)N
InChi [?]:
InChI=1/C16H14ClN3/c17-14-8-4-5-12(9-14)11-20-16(18)10-15(19-20)13-6-2-1-3-7-13/h1-10H,11,18H2
InChi Info:
AuxInfo=1/0/N:1,2,6,15,14,3,5,16,18,8,12,13,4,17,7,9,19,20,11,10/E:(2,3)(6,7)/rA:20nCCCCCCCCCNNCCCCCCCClN/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;d7s10;s10;s12;s13;d14;s15;d16;d13s17;s17;s9;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H14ClN3
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:9.97141
Area:485.321
Solvation:-2.16162
Coulombic:-24.5238
Bond Count [?]
All:22
Single:14
Double:8
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:283.755
H-Bond Donors:2
H-Bond Acceptors:1
XLogP:4.46
LogP (Chemaxon):3.86

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Descriptor Annotations

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