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Chemical ID: 7211740
Chemical ID:
7211740
Name [?]:
3-(4-chloro-3,5-dimethyl-pyrazol-1-yl)-N,N-diethyl-propanamide
SMILES [?]:
CCN(CC)C(=O)CCn1c(c(c(n1)C)Cl)C
InChi [?]:
InChI=1/C12H20ClN3O/c1-5-15(6-2)11(17)7-8-16-10(4)12(13)9(3)14-16/h5-8H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,5,15,17,2,4,8,9,13,11,6,12,16,14,3,10,7/E:(1,2)(5,6)/rA:17nCCNCCCOCCNCCCNCClC/rB:s1;s2;s3;s4;s3;d6;s6;s8;s9;s10;d11;s12;s10d13;s13;s12;s11;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H20ClN3O |
All Atoms: | 37 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.47499 |
Area: | 469.841 |
Solvation: | -2.27103 |
Coulombic: | -19.8782 |
Bond Count [?]
All: | 17 |
Single: | 14 |
Double: | 3 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 257.76 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 1.84 |
LogP (Chemaxon): | 1.06 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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