Chemical ID: 7158227

CCn1cc(c(n1)C(=O)N)NC(=O)CCn2c(c(c(n2)C)[N+](=O)[O-])C
Chemical ID:
7158227
Name [?]:
4-[3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)propanoylamino]-1-ethyl-pyrazole-3-carboxamide
SMILES [?]:
CCn1cc(c(n1)C(=O)N)NC(=O)CCn2c(c(c(n2)C)[N+](=O)[O-])C
InChi [?]:
InChI=1/C14H19N7O4/c1-4-19-7-10(12(18-19)14(15)23)16-11(22)5-6-20-9(3)13(21(24)25)8(2)17-20/h7H,4-6H2,1-3H3,(H2,15,23)(H,16,22)
InChi Info:
AuxInfo=1/1/N:1,21,25,2,14,15,4,19,17,5,12,6,18,8,10,11,20,7,3,16,22,13,9,23,24/E:(24,25)/CRV:21.5/rA:25nCCNCCCNCONNCOCCNCCCNCN+OO-C/rB:s1;s2;s3;d4;s5;s3d6;s6;d8;s8;s5;s11;d12;s12;s14;s15;s16;d17;s18;s16d19;s19;s18;d22;s22;s17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H19N7O4
All Atoms:44
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:6.54205
Area:580.059
Solvation:-7.95942
Coulombic:-68.2064
Bond Count [?]
All:26
Single:19
Double:7
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:349.345
H-Bond Donors:3
H-Bond Acceptors:7
XLogP:0.52
LogP (Chemaxon):0.04

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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