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Chemical ID: 4334909

Chemical ID:

4334909

Name [?]:

5-(4-bromophenyl)-2H-pyrazole-3-carbohydrazide

SMILES [?]:

c1cc(ccc1c2cc([nH]n2)C(=O)NN)Br

InChi [?]:

InChI=1/C10H9BrN4O/c11-7-3-1-6(2-4-7)8-5-9(15-14-8)10(16)13-12/h1-5H,12H2,(H,13,16)(H,14,15)

InChi Info:

AuxInfo=1/1/N:1,5,2,4,8,6,3,7,9,12,16,15,14,11,10,13/E:(1,2)(3,4)/rA:16nCCCCCCCCCNNCONNBr/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;s9;d7s10;s9;d12;s12;s14;s3;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₀H₉BrN₄O
All Atoms:	16
Heavy Atoms:	16
Chiral Atoms:	0

ZAP Information [?]

Total:	7.44187
Area:	415.468
Solvation:	-2.94482
Coulombic:	-38.6126

Bond Count [?]

All:	17
Single:	11
Double:	6
Rotors:	3
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	281.109
H-Bond Donors:	3
H-Bond Acceptors:	3
XLogP:	1.87
LogP (Chemaxon):	1.65

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