Chemical ID: 7211578

Cn1c(ccn1)CNC(=O)c2c(cnn2C)Br
Chemical ID:
7211578
Name [?]:
4-bromo-2-methyl-N-[(2-methylpyrazol-3-yl)methyl]pyrazole-3-carboxamide
SMILES [?]:
Cn1c(ccn1)CNC(=O)c2c(cnn2C)Br
InChi [?]:
InChI=1/C10H12BrN5O/c1-15-7(3-4-13-15)5-12-10(17)9-8(11)6-14-16(9)2/h3-4,6H,5H2,1-2H3,(H,12,17)
InChi Info:
AuxInfo=1/1/N:1,16,4,5,7,13,3,12,11,9,17,8,6,14,2,15,10/rA:17nCNCCCNCNCOCCCNNCBr/rB:s1;s2;d3;s4;s2d5;s3;s7;s8;d9;s9;d11;s12;d13;s11s14;s15;s12;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H12BrN5O
All Atoms:29
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:7.3805
Area:435.154
Solvation:-3.49834
Coulombic:-28.6814
Bond Count [?]
All:18
Single:13
Double:5
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:298.139
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:1.03
LogP (Chemaxon):-0.41

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