Chemical ID: 7196224

Cc1cc(n(n1)Cn2ccc(n2)C(=O)[O-])C
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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