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Chemical ID: 7218785

Chemical ID:

7218785

Name [?]:

N,3-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide

SMILES [?]:

Cc1cccc(c1)C(=O)N(C)Cc2ccn(n2)C

InChi [?]:

InChI=1/C14H17N3O/c1-11-5-4-6-12(9-11)14(18)16(2)10-13-7-8-17(3)15-13/h4-9H,10H2,1-3H3

InChi Info:

AuxInfo=1/0/N:1,11,18,4,3,5,14,15,7,12,2,6,13,8,17,10,16,9/rA:18nCCCCCCCCONCCCCCNNC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;s10;s10;s12;s13;d14;s15;d13s16;s16;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₄H₁₇N₃O
All Atoms:	35
Heavy Atoms:	18
Chiral Atoms:	0

ZAP Information [?]

Total:	7.58182
Area:	441.694
Solvation:	-3.46053
Coulombic:	-21.1574

Bond Count [?]

All:	19
Single:	13
Double:	6
Rotors:	4
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	243.304
H-Bond Donors:	0
H-Bond Acceptors:	2
XLogP:	2.21
LogP (Chemaxon):	1.86

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