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Chemical ID: 7211578
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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