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Chemical ID: 5779482

Chemical ID:

5779482

Name [?]:

1-[(4-tert-butylphenoxy)methyl]pyrazole-3-carbohydrazide

SMILES [?]:

CC(C)(C)c1ccc(cc1)OCn2ccc(n2)C(=O)NN

InChi [?]:

InChI=1/C15H20N4O2/c1-15(2,3)11-4-6-12(7-5-11)21-10-19-9-8-13(18-19)14(20)17-16/h4-9H,10,16H2,1-3H3,(H,17,20)

InChi Info:

AuxInfo=1/1/N:1,3,4,6,10,7,9,15,14,12,5,8,16,18,2,21,20,17,13,19,11/E:(1,2,3)(4,5)(6,7)/rA:21nCCCCCCCCCCOCNCCCNCONN/rB:s1;s2;s2;s2;s5;d6;s7;d8;d5s9;s8;s11;s12;s13;d14;s15;s13d16;s16;d18;s18;s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₅H₂₀N₄O₂
All Atoms:	21
Heavy Atoms:	21
Chiral Atoms:	0

ZAP Information [?]

Total:	9.24568
Area:	506.276
Solvation:	-3.41123
Coulombic:	-42.7584

Bond Count [?]

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

Chemical Properties

Molecular Weight:	288.345
H-Bond Donors:	3
H-Bond Acceptors:	4
XLogP:	2.6
LogP (Chemaxon):	2.97

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value