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Chemical ID: 7153090
Chemical ID:
7153090
Name [?]:
2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-cyclopentyl-acetamide
SMILES [?]:
C1CCC(C1)NC(=O)Cn2c(c(c(n2)C(F)(F)F)Cl)C3CC3
InChi [?]:
InChI=1/C14H17ClF3N3O/c15-11-12(8-5-6-8)21(20-13(11)14(16,17)18)7-10(22)19-9-3-1-2-4-9/h8-9H,1-7H2,(H,19,22)
InChi Info:
AuxInfo=1/1/N:1,2,5,3,21,22,9,20,4,7,12,11,13,15,19,16,17,18,6,14,10,8/E:(1,2)(3,4)(5,6)(16,17,18)/rA:22nCCCCCNCOCNCCCNCFFFClCCC/rB:s1;s2;s3;s1s4;s4;s6;d7;s7;s9;s10;d11;s12;s10d13;s13;s15;s15;s15;s12;s11;s20;s20s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H17ClF3N3O |
All Atoms: | 39 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.35537 |
Area: | 497.8 |
Solvation: | -3.08964 |
Coulombic: | -45.1473 |
Bond Count [?]
All: | 24 |
Single: | 21 |
Double: | 3 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 335.752 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 2.85 |
LogP (Chemaxon): | 2.61 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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