Chemical ID: 7211691

Cc1c(c(n(n1)C)C)CN(C)C(=O)c2c(cnn2C)Cl
Chemical ID:
7211691
Name [?]:
4-chloro-N,2-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-3-carboxamide
SMILES [?]:
Cc1c(c(n(n1)C)C)CN(C)C(=O)c2c(cnn2C)Cl
InChi [?]:
InChI=1/C13H18ClN5O/c1-8-10(9(2)18(4)16-8)7-17(3)13(20)12-11(14)6-15-19(12)5/h6H,7H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,8,11,7,19,16,9,2,4,3,15,14,12,20,17,6,10,5,18,13/rA:20nCCCCNNCCCNCCOCCCNNCCl/rB:s1;s2;d3;s4;d2s5;s5;s4;s3;s9;s10;s10;d12;s12;d14;s15;d16;s14s17;s18;s15;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H18ClN5O
All Atoms:38
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:8.13301
Area:461.383
Solvation:-3.40157
Coulombic:-24.5535
Bond Count [?]
All:21
Single:16
Double:5
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:295.768
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:1.28
LogP (Chemaxon):-0.02

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