Chemical ID: 7174951

CCn1cc(c(n1)C(=O)NCC(C)C)NC(=O)c2ccnn2C(F)F
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

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