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Chemical ID: 4721911
Chemical ID:
4721911
Name [?]:
2-(4-methoxyphenyl)-5-methyl-pyrazol-3-amine
SMILES [?]:
Cc1cc(n(n1)c2ccc(cc2)OC)N
InChi [?]:
InChI=1/C11H13N3O/c1-8-7-11(12)14(13-8)9-3-5-10(15-2)6-4-9/h3-7H,12H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,14,8,12,9,11,3,2,7,10,4,15,6,5,13/E:(3,4)(5,6)/rA:15nCCCCNNCCCCCCOCN/rB:s1;s2;d3;s4;d2s5;s5;s7;d8;s9;d10;d7s11;s10;s13;s4;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H13N3O |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.47266 |
Area: | 378.825 |
Solvation: | -2.99796 |
Coulombic: | -27.8209 |
Bond Count [?]
All: | 16 |
Single: | 11 |
Double: | 5 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 203.241 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 2 |
XLogP: | 1.9 |
LogP (Chemaxon): | 1.08 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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