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Chemical ID: 7174951
Chemical ID:
7174951
Name [?]:
4-[2-(difluoromethyl)pyrazol-3-yl]carbonylamino-1-ethyl-N-isobutyl-pyrazole-3-carboxamide
SMILES [?]:
CCn1cc(c(n1)C(=O)NCC(C)C)NC(=O)c2ccnn2C(F)F
InChi [?]:
InChI=1/C15H20F2N6O2/c1-4-22-8-10(12(21-22)14(25)18-7-9(2)3)20-13(24)11-5-6-19-23(11)15(16)17/h5-6,8-9,15H,4,7H2,1-3H3,(H,18,25)(H,20,24)
InChi Info:
AuxInfo=1/1/N:1,13,14,2,19,20,11,4,12,5,18,6,16,8,23,24,25,10,21,15,7,3,22,17,9/E:(2,3)(16,17)/rA:25nCCNCCCNCONCCCCNCOCCCNNCFF/rB:s1;s2;s3;d4;s5;s3d6;s6;d8;s8;s10;s11;s12;s12;s5;s15;d16;s16;d18;s19;d20;s18s21;s22;s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H20F2N6O2 |
All Atoms: | 45 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.22339 |
Area: | 559.925 |
Solvation: | -4.77474 |
Coulombic: | -63.7363 |
Bond Count [?]
All: | 26 |
Single: | 20 |
Double: | 6 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 354.355 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 2.45 |
LogP (Chemaxon): | 1.77 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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