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Chemical ID: 7196429
Chemical ID:
7196429
Name [?]:
methyl 1-(pyrazol-1-ylmethyl)pyrazole-3-carboxylate
SMILES [?]:
COC(=O)c1ccn(n1)Cn2cccn2
InChi [?]:
InChI=1/C9H10N4O2/c1-15-9(14)8-3-6-13(11-8)7-12-5-2-4-10-12/h2-6H,7H2,1H3
InChi Info:
AuxInfo=1/0/N:1,13,6,14,12,7,10,5,3,15,9,11,8,4,2/rA:15nCOCOCCCNNCNCCCN/rB:s1;s2;d3;s3;s5;d6;s7;d5s8;s8;s10;s11;d12;s13;s11d14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H10N4O2 |
All Atoms: | 25 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.53515 |
Area: | 389.934 |
Solvation: | -4.21319 |
Coulombic: | -26.7945 |
Bond Count [?]
All: | 16 |
Single: | 11 |
Double: | 5 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 206.201 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 0.98 |
LogP (Chemaxon): | 0.78 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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