Chemical ID: 7212600

Cc1c(cn(n1)C(C)C(=O)NCCCN2CCCC2=O)Cl
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

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