Chemical ID: 7155581

CCn1c(c(c(n1)C)CN(C)C(=O)CCn2cc(c(n2)[N+](=O)[O-])Cl)C
Chemical ID:
7155581
Name [?]:
3-(4-chloro-3-nitro-pyrazol-1-yl)-N-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]-N-methyl-propanamide
SMILES [?]:
CCn1c(c(c(n1)C)CN(C)C(=O)CCn2cc(c(n2)[N+](=O)[O-])Cl)C
InChi [?]:
InChI=1/C15H21ClN6O3/c1-5-21-11(3)12(10(2)17-21)8-19(4)14(23)6-7-20-9-13(16)15(18-20)22(24)25/h9H,5-8H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,8,25,11,2,14,15,9,17,6,4,5,18,12,19,24,7,20,10,16,3,21,13,22,23/E:(24,25)/CRV:22.5/rA:25nCCNCCCNCCNCCOCCNCCCNN+OO-ClC/rB:s1;s2;s3;d4;s5;s3d6;s6;s5;s9;s10;s10;d12;s12;s14;s15;s16;d17;s18;s16d19;s19;d21;s21;s18;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H21ClN6O3
All Atoms:46
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:5.55772
Area:582.951
Solvation:-9.01606
Coulombic:-38.0439
Bond Count [?]
All:26
Single:20
Double:6
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:368.819
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:1.71
LogP (Chemaxon):1.42

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Descriptor Annotations

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