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Chemical ID: 7158465
Chemical ID:
7158465
Name [?]:
3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-diethylamino-1-methyl-ethyl)-propanamide
SMILES [?]:
CCN(CC)CC(C)NC(=O)CCn1c(c(c(n1)C(F)(F)F)Cl)C2CC2
InChi [?]:
InChI=1/C17H26ClF3N4O/c1-4-24(5-2)10-11(3)22-13(26)8-9-25-15(12-6-7-12)14(18)16(23-25)17(19,20)21/h11-12H,4-10H2,1-3H3,(H,22,26)
InChi Info:
AuxInfo=1/1/N:1,5,8,2,4,25,26,12,13,6,7,24,10,16,15,17,19,23,20,21,22,9,18,3,14,11/E:(1,2)(4,5)(6,7)(19,20,21)/rA:26cCCNCCCCCNCOCCNCCCNCFFFClCCC/rB:s1;s2;s3;s4;s3;s6;s7;s7;s9;d10;s10;s12;s13;s14;d15;s16;s14d17;s17;s19;s19;s19;s16;s15;s24;s24s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H26ClF3N4O |
All Atoms: | 52 |
Heavy Atoms: | 26 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.9784 |
Area: | 600.811 |
Solvation: | -3.04192 |
Coulombic: | -49.4467 |
Bond Count [?]
All: | 27 |
Single: | 24 |
Double: | 3 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 394.863 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 2.91 |
LogP (Chemaxon): | 2.68 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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