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Chemical ID: 7218785
Chemical ID:
7218785
Name [?]:
N,3-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide
SMILES [?]:
Cc1cccc(c1)C(=O)N(C)Cc2ccn(n2)C
InChi [?]:
InChI=1/C14H17N3O/c1-11-5-4-6-12(9-11)14(18)16(2)10-13-7-8-17(3)15-13/h4-9H,10H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,11,18,4,3,5,14,15,7,12,2,6,13,8,17,10,16,9/rA:18nCCCCCCCCONCCCCCNNC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;s10;s10;s12;s13;d14;s15;d13s16;s16;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H17N3O |
All Atoms: | 35 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.58182 |
Area: | 441.694 |
Solvation: | -3.46053 |
Coulombic: | -21.1574 |
Bond Count [?]
All: | 19 |
Single: | 13 |
Double: | 6 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 243.304 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 2.21 |
LogP (Chemaxon): | 1.86 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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