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Chemical ID: 7196510

Chemical ID:

7196510

Name [?]:

methyl 1-[(2,4-dimethylphenoxy)methyl]pyrazole-3-carboxylate

SMILES [?]:

Cc1ccc(c(c1)C)OCn2ccc(n2)C(=O)OC

InChi [?]:

InChI=1/C14H16N2O3/c1-10-4-5-13(11(2)8-10)19-9-16-7-6-12(15-16)14(17)18-3/h4-8H,9H2,1-3H3

InChi Info:

AuxInfo=1/0/N:1,8,19,3,4,13,12,7,10,2,6,14,5,16,15,11,17,18,9/rA:19nCCCCCCCCOCNCCCNCOOC/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;s10;s11;d12;s13;s11d14;s14;d16;s16;s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₄H₁₆N₂O₃
All Atoms:	35
Heavy Atoms:	19
Chiral Atoms:	0

ZAP Information [?]

Total:	8.55785
Area:	469.55
Solvation:	-3.18089
Coulombic:	-33.5631

Bond Count [?]

All:	20
Single:	14
Double:	6
Rotors:	5
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	260.289
H-Bond Donors:	0
H-Bond Acceptors:	3
XLogP:	2.98
LogP (Chemaxon):	3.19

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