Chemical ID: 7210299

CCn1c(c(c(n1)C)CN(C)C(=O)c2c(c(nn2C)C)Cl)C
Chemical ID:
7210299
Name [?]:
4-chloro-N-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]-N,2,5-trimethyl-pyrazole-3-carboxamide
SMILES [?]:
CCn1c(c(c(n1)C)CN(C)C(=O)c2c(c(nn2C)C)Cl)C
InChi [?]:
InChI=1/C15H22ClN5O/c1-7-21-11(4)12(9(2)18-21)8-19(5)15(22)14-13(16)10(3)17-20(14)6/h7-8H2,1-6H3
InChi Info:
AuxInfo=1/0/N:1,8,20,22,11,19,2,9,6,16,4,5,15,14,12,21,17,7,10,18,3,13/rA:22nCCNCCCNCCNCCOCCCNNCCClC/rB:s1;s2;s3;d4;s5;s3d6;s6;s5;s9;s10;s10;d12;s12;d14;s15;d16;s14s17;s18;s16;s15;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H22ClN5O
All Atoms:44
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:9.23449
Area:494.501
Solvation:-3.12802
Coulombic:-25.1816
Bond Count [?]
All:23
Single:18
Double:5
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:323.821
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:1.85
LogP (Chemaxon):0.5

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