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Chemical ID: 7149663

Cc1cc(nn1CCC(=O)NNC(=O)CCn2cc(cn2)[N+](=O)[O-])C(F)(F)F

Chemical ID:

7149663

Name [?]:

3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N'-[3-(4-nitropyrazol-1-yl)propanoyl]propanehydrazide

SMILES [?]:

Cc1cc(nn1CCC(=O)NNC(=O)CCn2cc(cn2)[N+](=O)[O-])C(F)(F)F

InChi [?]:

InChI=1/C14H16F3N7O4/c1-9-6-11(14(15,16)17)21-23(9)5-3-13(26)20-19-12(25)2-4-22-8-10(7-18-22)24(27)28/h6-8H,2-5H2,1H3,(H,19,25)(H,20,26)

InChi Info:

AuxInfo=1/1/N:1,15,8,16,7,3,20,18,2,19,4,13,9,25,26,27,28,21,12,11,5,17,6,22,14,10,23,24/E:(15,16,17)(27,28)/CRV:24.5/rA:28nCCCCNNCCCONNCOCCNCCCNN+OO-CFFF/rB:s1;d2;s3;d4;s2s5;s6;s7;s8;d9;s9;s11;s12;d13;s13;s15;s16;s17;d18;s19;s17d20;s19;d22;s22;s4;s25;s25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₄H₁₆F₃N₇O₄
All Atoms:	44
Heavy Atoms:	28
Chiral Atoms:	0

ZAP Information [?]

Total:	5.28608
Area:	629.992
Solvation:	-10.4637
Coulombic:	-72.4899

Bond Count [?]

All:	29
Single:	22
Double:	7
Rotors:	11
Chiral:	0
Rigid Segments:	9

Chemical Properties

Molecular Weight:	403.317
H-Bond Donors:	2
H-Bond Acceptors:	7
XLogP:	1.19
LogP (Chemaxon):	0.26

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value