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Chemical ID: 7205867
Chemical ID:
7205867
Name [?]:
N-(3-anilinophenyl)-2-methyl-pyrazole-3-carboxamide
SMILES [?]:
Cn1c(ccn1)C(=O)Nc2cccc(c2)Nc3ccccc3
InChi [?]:
InChI=1/C17H16N4O/c1-21-16(10-11-18-21)17(22)20-15-9-5-8-14(12-15)19-13-6-3-2-4-7-13/h2-12,19H,1H3,(H,20,22)
InChi Info:
AuxInfo=1/1/N:1,20,19,21,12,18,22,13,11,4,5,15,17,14,10,3,7,6,16,9,2,8/E:(3,4)(6,7)/rA:22nCNCCCNCONCCCCCCNCCCCCC/rB:s1;s2;d3;s4;s2d5;s3;d7;s7;s9;s10;d11;s12;d13;d10s14;s14;s16;s17;d18;s19;d20;d17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H16N4O |
All Atoms: | 38 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.19377 |
Area: | 492.458 |
Solvation: | -3.11767 |
Coulombic: | -37.6873 |
Bond Count [?]
All: | 24 |
Single: | 15 |
Double: | 9 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 292.335 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 2.79 |
LogP (Chemaxon): | 2.39 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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