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Chemical ID: 7212600
Chemical ID:
7212600
Name [?]:
2-(4-chloro-3-methyl-pyrazol-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide
SMILES [?]:
Cc1c(cn(n1)C(C)C(=O)NCCCN2CCCC2=O)Cl
InChi [?]:
InChI=1/C14H21ClN4O2/c1-10-12(15)9-19(17-10)11(2)14(21)16-6-4-8-18-7-3-5-13(18)20/h9,11H,3-8H2,1-2H3,(H,16,21)
InChi Info:
AuxInfo=1/1/N:1,8,17,13,18,12,16,14,4,2,7,3,19,9,21,11,6,15,5,20,10/rA:21cCCCCNNCCCONCCCNCCCCOCl/rB:s1;s2;d3;s4;d2s5;s5;s7;s7;d9;s9;s11;s12;s13;s14;s15;s16;s17;s15s18;d19;s3;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H21ClN4O2 |
All Atoms: | 42 |
Heavy Atoms: | 21 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.22625 |
Area: | 540.521 |
Solvation: | -4.28677 |
Coulombic: | -39.9479 |
Bond Count [?]
All: | 22 |
Single: | 18 |
Double: | 4 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 312.795 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 0.96 |
LogP (Chemaxon): | -0.05 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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