Chemical ID: 7211341

CCn1cc(c(n1)C(=O)N(C)Cc2c(nn(c2C)CC)C)Cl
Chemical ID:
7211341
Name [?]:
4-chloro-1-ethyl-N-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]-N-methyl-pyrazole-3-carboxamide
SMILES [?]:
CCn1cc(c(n1)C(=O)N(C)Cc2c(nn(c2C)CC)C)Cl
InChi [?]:
InChI=1/C15H22ClN5O/c1-6-20-9-13(16)14(18-20)15(22)19(5)8-12-10(3)17-21(7-2)11(12)4/h9H,6-8H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,20,21,18,11,2,19,12,4,14,17,13,5,6,8,22,15,7,10,3,16,9/rA:22nCCNCCCNCONCCCCNNCCCCCCl/rB:s1;s2;s3;d4;s5;s3d6;s6;d8;s8;s10;s10;s12;s13;d14;s15;d13s16;s17;s16;s19;s14;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H22ClN5O
All Atoms:44
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:9.9513
Area:516.866
Solvation:-2.97034
Coulombic:-26.0223
Bond Count [?]
All:23
Single:18
Double:5
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:323.821
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:2.03
LogP (Chemaxon):1.3

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