Chemical ID: 7212195

Cc1c(cn(n1)C(C)C(=O)NC(Cn2cccn2)C(C)(C)C)Br
Chemical ID:
7212195
Name [?]:
2-(4-bromo-3-methyl-pyrazol-1-yl)-N-[2,2-dimethyl-1-(pyrazol-1-ylmethyl)propyl]-propanamide
SMILES [?]:
Cc1c(cn(n1)C(C)C(=O)NC(Cn2cccn2)C(C)(C)C)Br
InChi [?]:
InChI=1/C16H24BrN5O/c1-11-13(17)9-22(20-11)12(2)15(23)19-14(16(3,4)5)10-21-8-6-7-18-21/h6-9,12,14H,10H2,1-5H3,(H,19,23)
InChi Info:
AuxInfo=1/1/N:1,8,20,21,22,16,17,15,4,13,2,7,3,12,9,19,23,18,11,6,14,5,10/E:(3,4,5)/rA:23cCCCCNNCCCONCCNCCCNCCCCBr/rB:s1;s2;d3;s4;d2s5;s5;s7;s7;d9;s9;s11;s12;s13;s14;d15;s16;s14d17;s12;s19;s19;s19;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H24BrN5O
All Atoms:47
Heavy Atoms:23
Chiral Atoms:2
ZAP Information [?]
Total:9.28455
Area:544.788
Solvation:-4.33513
Coulombic:-28.3591
Bond Count [?]
All:24
Single:19
Double:5
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:382.299
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.05
LogP (Chemaxon):2.68

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