Chemical ID: 7196429

COC(=O)c1ccn(n1)Cn2cccn2
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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