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Chemical ID: 7212510
Chemical ID:
7212510
Name [?]:
2-(4-bromo-3-methyl-pyrazol-1-yl)-N-isopropyl-propanamide
SMILES [?]:
Cc1c(cn(n1)C(C)C(=O)NC(C)C)Br
InChi [?]:
InChI=1/C10H16BrN3O/c1-6(2)12-10(15)8(4)14-5-9(11)7(3)13-14/h5-6,8H,1-4H3,(H,12,15)
InChi Info:
AuxInfo=1/1/N:13,14,1,8,4,12,2,7,3,9,15,11,6,5,10/E:(1,2)/rA:15cCCCCNNCCCONCCCBr/rB:s1;s2;d3;s4;d2s5;s5;s7;s7;d9;s9;s11;s12;s12;s3;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H16BrN3O |
All Atoms: | 31 |
Heavy Atoms: | 15 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.74624 |
Area: | 416.567 |
Solvation: | -2.66794 |
Coulombic: | -24.934 |
Bond Count [?]
All: | 15 |
Single: | 12 |
Double: | 3 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 274.158 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 2.04 |
LogP (Chemaxon): | 1.5 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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