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Chemical ID: 7174464

Chemical ID:

7174464

Name [?]:

4-[2-(difluoromethyl)pyrazol-3-yl]carbonylamino-N,1-dimethyl-pyrazole-3-carboxamide

SMILES [?]:

CNC(=O)c1c(cn(n1)C)NC(=O)c2ccnn2C(F)F

InChi [?]:

InChI=1/C11H12F2N6O2/c1-14-10(21)8-6(5-18(2)17-8)16-9(20)7-3-4-15-19(7)11(12)13/h3-5,11H,1-2H3,(H,14,21)(H,16,20)

InChi Info:

AuxInfo=1/1/N:1,10,15,16,7,6,14,5,12,3,19,20,21,2,17,11,9,8,18,13,4/E:(12,13)/rA:21nCNCOCCCNNCNCOCCCNNCFF/rB:s1;s2;d3;s3;s5;d6;s7;d5s8;s8;s6;s11;d12;s12;d14;s15;d16;s14s17;s18;s19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₁H₁₂F₂N₆O₂
All Atoms:	33
Heavy Atoms:	21
Chiral Atoms:	0

ZAP Information [?]

Total:	6.63623
Area:	460.991
Solvation:	-4.88855
Coulombic:	-62.4742

Bond Count [?]

All:	22
Single:	16
Double:	6
Rotors:	6
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	298.249
H-Bond Donors:	2
H-Bond Acceptors:	4
XLogP:	0.95
LogP (Chemaxon):	0.22

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value