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Chemical ID: 4732771

Chemical ID:

4732771

Name [?]:

1-benzyl-4-[(3,5-dimethylpyrazol-1-yl)methyl]piperazine

SMILES [?]:

Cc1cc(n(n1)CN2CCN(CC2)Cc3ccccc3)C

InChi [?]:

InChI=1/C17H24N4/c1-15-12-16(2)21(18-15)14-20-10-8-19(9-11-20)13-17-6-4-3-5-7-17/h3-7,12H,8-11,13-14H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,21,18,17,19,16,20,10,12,9,13,3,14,7,2,4,15,6,11,8,5/E:(4,5)(6,7)(8,9)(10,11)/rA:21nCCCCNNCNCCNCCCCCCCCCC/rB:s1;s2;d3;s4;d2s5;s5;s7;s8;s9;s10;s11;s8s12;s11;s14;s15;d16;s17;d18;d15s19;s4;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₇H₂₄N₄
All Atoms:	21
Heavy Atoms:	21
Chiral Atoms:	0

ZAP Information [?]

Total:	9.11493
Area:	495.276
Solvation:	-3.26697
Coulombic:	-13.8587

Bond Count [?]

All:	23
Single:	18
Double:	5
Rotors:	4
Chiral:	0
Rigid Segments:	3

Chemical Properties

Molecular Weight:	284.399
H-Bond Donors:	0
H-Bond Acceptors:	2
XLogP:	2.32
LogP (Chemaxon):	2.43

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