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Chemical ID: 7196212
Chemical ID:
7196212
Name [?]:
1-[(2,4-dimethylphenoxy)methyl]pyrazol-4-amine
SMILES [?]:
Cc1ccc(c(c1)C)OCn2cc(cn2)N
InChi [?]:
InChI=1/C12H15N3O/c1-9-3-4-12(10(2)5-9)16-8-15-7-11(13)6-14-15/h3-7H,8,13H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,8,3,4,7,14,12,10,2,6,13,5,16,15,11,9/rA:16nCCCCCCCCOCNCCCNN/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;s10;s11;d12;s13;s11d14;s13;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H15N3O |
All Atoms: | 31 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.7189 |
Area: | 410.269 |
Solvation: | -2.53783 |
Coulombic: | -29.4717 |
Bond Count [?]
All: | 17 |
Single: | 12 |
Double: | 5 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 217.267 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 2 |
XLogP: | 2.63 |
LogP (Chemaxon): | 2.46 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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