Chemical ID: 7214097

CC1=CC(N(N1)C(=O)c2cc(n[nH]2)c3cccc(c3)Br)(C(F)F)O
Chemical ID:
7214097
Name [?]:
[5-(3-bromophenyl)-2H-pyrazol-3-yl]-[5-(difluoromethyl)-5-hydroxy-3-methyl-2H-pyrazol-1-yl]-methanone
SMILES [?]:
CC1=CC(N(N1)C(=O)c2cc(n[nH]2)c3cccc(c3)Br)(C(F)F)O
InChi [?]:
InChI=1/C15H13BrF2N4O2/c1-8-7-15(24,14(17)18)22(21-8)13(23)12-6-11(19-20-12)9-3-2-4-10(16)5-9/h2-7,14,21,24H,1H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,16,15,17,19,10,3,2,14,18,11,9,7,21,4,20,22,23,12,13,6,5,8,24/E:(17,18)/rA:24cCCCCNNCOCCCNNCCCCCCBrCFFO/rB:s1;d2;s3;s4;s2s5;s5;d7;s7;d9;s10;d11;s9s12;s11;s14;d15;s16;d17;d14s18;s18;s4;s21;s21;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H13BrF2N4O2
All Atoms:37
Heavy Atoms:24
Chiral Atoms:1
ZAP Information [?]
Total:7.2761
Area:520.443
Solvation:-5.73498
Coulombic:-59.4384
Bond Count [?]
All:26
Single:19
Double:7
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:399.19
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:4.16
LogP (Chemaxon):2.48

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