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Chemical ID: 7159931
Chemical ID:
7159931
Name [?]:
N-(3-carbamoyl-1-ethyl-pyrazol-4-yl)-1,3,5-trimethyl-pyrazole-4-carboxamide
SMILES [?]:
CCn1cc(c(n1)C(=O)N)NC(=O)c2c(nn(c2C)C)C
InChi [?]:
InChI=1/C13H18N6O2/c1-5-19-6-9(11(17-19)12(14)20)15-13(21)10-7(2)16-18(4)8(10)3/h6H,5H2,1-4H3,(H2,14,20)(H,15,21)
InChi Info:
AuxInfo=1/1/N:1,21,19,20,2,4,15,18,5,14,6,8,12,10,11,16,7,17,3,9,13/rA:21nCCNCCCNCONNCOCCNNCCCC/rB:s1;s2;s3;d4;s5;s3d6;s6;d8;s8;s5;s11;d12;s12;s14;d15;s16;d14s17;s18;s17;s15;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H18N6O2 |
All Atoms: | 39 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.42493 |
Area: | 499.433 |
Solvation: | -3.06089 |
Coulombic: | -55.4261 |
Bond Count [?]
All: | 22 |
Single: | 16 |
Double: | 6 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 290.321 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 4 |
XLogP: | 0.42 |
LogP (Chemaxon): | -0.12 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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