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Chemical ID: 7156423
Chemical ID:
7156423
Name [?]:
N-(5-carbamoyl-1-methyl-pyrazol-4-yl)-1,5-dimethyl-pyrazole-4-carboxamide
SMILES [?]:
Cc1c(cnn1C)C(=O)Nc2cnn(c2C(=O)N)C
InChi [?]:
InChI=1/C11H14N6O2/c1-6-7(4-13-16(6)2)11(19)15-8-5-14-17(3)9(8)10(12)18/h4-5H,1-3H3,(H2,12,18)(H,15,19)
InChi Info:
AuxInfo=1/1/N:1,7,19,4,12,2,3,11,15,16,8,18,5,13,10,6,14,17,9/rA:19nCCCCNNCCONCCNNCCONC/rB:s1;d2;s3;d4;s2s5;s6;s3;d8;s8;s10;s11;d12;s13;d11s14;s15;d16;s16;s14;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H14N6O2 |
All Atoms: | 33 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.26391 |
Area: | 448.809 |
Solvation: | -3.9563 |
Coulombic: | -53.7595 |
Bond Count [?]
All: | 20 |
Single: | 14 |
Double: | 6 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 262.268 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 4 |
XLogP: | -0.05 |
LogP (Chemaxon): | -1.27 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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