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Chemical ID: 7159642
Chemical ID:
7159642
Name [?]:
4-(1-ethylpyrazol-4-yl)carbonylamino-2-methyl-pyrazole-3-carboxamide
SMILES [?]:
CCn1cc(cn1)C(=O)Nc2cnn(c2C(=O)N)C
InChi [?]:
InChI=1/C11H14N6O2/c1-3-17-6-7(4-14-17)11(19)15-8-5-13-16(2)9(8)10(12)18/h4-6H,3H2,1-2H3,(H2,12,18)(H,15,19)
InChi Info:
AuxInfo=1/1/N:1,19,2,6,12,4,5,11,15,16,8,18,13,7,10,14,3,17,9/rA:19nCCNCCCNCONCCNNCCONC/rB:s1;s2;s3;d4;s5;s3d6;s5;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: | 7.56405 |
Area: | 459.068 |
Solvation: | -3.91264 |
Coulombic: | -54.0148 |
Bond Count [?]
All: | 20 |
Single: | 14 |
Double: | 6 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 262.268 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 4 |
XLogP: | 0.14 |
LogP (Chemaxon): | -0.94 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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