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Chemical ID: 7158133
Chemical ID:
7158133
Name [?]:
N-(3-carbamoyl-1-ethyl-pyrazol-4-yl)-1-ethyl-3,5-dimethyl-pyrazole-4-carboxamide
SMILES [?]:
CCn1cc(c(n1)C(=O)N)NC(=O)c2c(nn(c2C)CC)C
InChi [?]:
InChI=1/C14H20N6O2/c1-5-19-7-10(12(18-19)13(15)21)16-14(22)11-8(3)17-20(6-2)9(11)4/h7H,5-6H2,1-4H3,(H2,15,21)(H,16,22)
InChi Info:
AuxInfo=1/1/N:1,21,22,19,2,20,4,15,18,5,14,6,8,12,10,11,16,7,3,17,9,13/rA:22nCCNCCCNCONNCOCCNNCCCCC/rB:s1;s2;s3;d4;s5;s3d6;s6;d8;s8;s5;s11;d12;s12;s14;d15;s16;d14s17;s18;s17;s20;s15;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H20N6O2 |
All Atoms: | 42 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.0889 |
Area: | 523.402 |
Solvation: | -2.99611 |
Coulombic: | -55.7617 |
Bond Count [?]
All: | 23 |
Single: | 17 |
Double: | 6 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 304.348 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 4 |
XLogP: | 0.85 |
LogP (Chemaxon): | 0.22 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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