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Chemical ID: 7156093
Chemical ID:
7156093
Name [?]:
3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-cyclohexyl-propanamide
SMILES [?]:
C1CCC(CC1)NC(=O)CCn2c(c(c(n2)C(F)(F)F)Cl)C3CC3
InChi [?]:
InChI=1/C16H21ClF3N3O/c17-13-14(10-6-7-10)23(22-15(13)16(18,19)20)9-8-12(24)21-11-4-2-1-3-5-11/h10-11H,1-9H2,(H,21,24)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,23,24,10,11,22,4,8,14,13,15,17,21,18,19,20,7,16,12,9/E:(2,3)(4,5)(6,7)(18,19,20)/rA:24nCCCCCCNCOCCNCCCNCFFFClCCC/rB:s1;s2;s3;s4;s1s5;s4;s7;d8;s8;s10;s11;s12;d13;s14;s12d15;s15;s17;s17;s17;s14;s13;s22;s22s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H21ClF3N3O |
All Atoms: | 45 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.9605 |
Area: | 543.1 |
Solvation: | -2.617 |
Coulombic: | -45.1393 |
Bond Count [?]
All: | 26 |
Single: | 23 |
Double: | 3 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 363.805 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.58 |
LogP (Chemaxon): | 3.19 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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