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Chemical ID: 6630715
Chemical ID:
6630715
Name [?]:
1-(4-methoxyphenyl)-5-methyl-pyrazole-4-carbohydrazide
SMILES [?]:
Cc1c(cnn1c2ccc(cc2)OC)C(=O)NN
InChi [?]:
InChI=1/C12H14N4O2/c1-8-11(12(17)15-13)7-14-16(8)9-3-5-10(18-2)6-4-9/h3-7H,13H2,1-2H3,(H,15,17)
InChi Info:
AuxInfo=1/1/N:1,14,8,12,9,11,4,2,7,10,3,15,18,5,17,6,16,13/E:(3,4)(5,6)/rA:18nCCCCNNCCCCCCOCCONN/rB:s1;d2;s3;d4;s2s5;s6;s7;d8;s9;d10;d7s11;s10;s13;s3;d15;s15;s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H14N4O2 |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.20412 |
Area: | 427.937 |
Solvation: | -4.49431 |
Coulombic: | -37.9019 |
Bond Count [?]
All: | 19 |
Single: | 13 |
Double: | 6 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 246.265 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 4 |
XLogP: | 0.64 |
LogP (Chemaxon): | 0.4 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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