Chemical ID: 7212793

Cc1c(c(n(n1)C)C)C(=O)NC2CCCC2
Chemical ID:
7212793
Name [?]:
N-cyclopentyl-1,3,5-trimethyl-pyrazole-4-carboxamide
SMILES [?]:
Cc1c(c(n(n1)C)C)C(=O)NC2CCCC2
InChi [?]:
InChI=1/C12H19N3O/c1-8-11(9(2)15(3)14-8)12(16)13-10-6-4-5-7-10/h10H,4-7H2,1-3H3,(H,13,16)
InChi Info:
AuxInfo=1/1/N:1,8,7,14,15,13,16,2,4,12,3,9,11,6,5,10/E:(4,5)(6,7)/rA:16nCCCCNNCCCONCCCCC/rB:s1;s2;d3;s4;d2s5;s5;s4;s3;d9;s9;s11;s12;s13;s14;s12s15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H19N3O
All Atoms:35
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:8.18556
Area:415.583
Solvation:-2.20402
Coulombic:-25.1425
Bond Count [?]
All:17
Single:14
Double:3
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:221.299
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:1.56
LogP (Chemaxon):0.59

Name Annotations

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Descriptor Annotations

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