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Chemical ID: 7196224
Chemical ID:
7196224
Name [?]:
1-[(3,5-dimethylpyrazol-1-yl)methyl]pyrazole-3-carboxylate
SMILES [?]:
Cc1cc(n(n1)Cn2ccc(n2)C(=O)[O-])C
InChi [?]:
InChI=1/C10H12N4O2/c1-7-5-8(2)14(11-7)6-13-4-3-9(12-13)10(15)16/h3-5H,6H2,1-2H3,(H,15,16)/p-1
InChi Info:
AuxInfo=1/1/N:1,16,10,9,3,7,2,4,11,13,6,12,8,5,14,15/E:(15,16)/rA:16nCCCCNNCNCCCNCOO-C/rB:s1;s2;d3;s4;d2s5;s5;s7;s8;d9;s10;s8d11;s11;d13;s13;s4;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H11N4O2- |
All Atoms: | 27 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -36.4177 |
Area: | 401.138 |
Solvation: | -46.4461 |
Coulombic: | -7.0681 |
Bond Count [?]
All: | 17 |
Single: | 12 |
Double: | 5 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 219.22 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 0.55 |
LogP (Chemaxon): | 0.21 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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