Chemical ID: 6428383

Cc1c(cnn1c2ccccc2)C(=O)OC
Chemical ID:
6428383
Name [?]:
methyl 5-methyl-1-phenyl-pyrazole-4-carboxylate
SMILES [?]:
Cc1c(cnn1c2ccccc2)C(=O)OC
InChi [?]:
InChI=1/C12H12N2O2/c1-9-11(12(15)16-2)8-13-14(9)10-6-4-3-5-7-10/h3-8H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,16,10,9,11,8,12,4,2,7,3,13,5,6,14,15/E:(4,5)(6,7)/rA:16nCCCCNNCCCCCCCOOC/rB:s1;d2;s3;d4;s2s5;s6;s7;d8;s9;d10;d7s11;s3;d13;s13;s15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H12N2O2
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:7.49092
Area:392.435
Solvation:-2.31995
Coulombic:-24.295
Bond Count [?]
All:17
Single:11
Double:6
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:216.236
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:2.25
LogP (Chemaxon):1.56

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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