methyl 2-[4-[(2,5-dichlorophenyl)methoxy]-1,3-dimethylpyrazol-5-yl]acetate

C15H16Cl2N2O3 — CID 18974404

IUPACmethyl 2-[4-[(2,5-dichlorophenyl)methoxy]-1,3-dimethylpyrazol-5-yl]acetate
SMILESCOC(=O)Cc1c(OCc2cc(Cl)ccc2Cl)c(C)nn1C
InChIInChI=1S/C15H16Cl2N2O3/c1-9-15(13(19(2)18-9)7-14(20)21-3)22-8-10-6-11(16)4-5-12(10)17/h4-6H,7-8H2,1-3H3
InChIKeyMSZWAQDZLCVSKO-UHFFFAOYSA-N
MW343.21 g/mol
LogP3.33
Rot. Bonds5

About methyl 2-[4-[(2,5-dichlorophenyl)methoxy]-1,3-dimethylpyrazol-5-yl]acetate

methyl 2-[4-[(2,5-dichlorophenyl)methoxy]-1,3-dimethylpyrazol-5-yl]acetate (PubChem CID 18974404) has the molecular formula C15H16Cl2N2O3 and a molecular weight of 343.21 g/mol. Its IUPAC name is methyl 2-[4-[(2,5-dichlorophenyl)methoxy]-1,3-dimethylpyrazol-5-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[(2,5-dichlorophenyl)methoxy]-1,3-dimethylpyrazol-5-yl]acetate
PubChem CID18974404
Molecular FormulaC15H16Cl2N2O3
Molecular Weight343.21 g/mol
Exact Mass342.05
IUPAC Namemethyl 2-[4-[(2,5-dichlorophenyl)methoxy]-1,3-dimethylpyrazol-5-yl]acetate
SMILESCOC(=O)Cc1c(OCc2cc(Cl)ccc2Cl)c(C)nn1C
InChIInChI=1S/C15H16Cl2N2O3/c1-9-15(13(19(2)18-9)7-14(20)21-3)22-8-10-6-11(16)4-5-12(10)17/h4-6H,7-8H2,1-3H3
InChIKeyMSZWAQDZLCVSKO-UHFFFAOYSA-N
XLogP3.33
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.21
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[(2,5-dichlorophenyl)methoxy]-1,3-dimethylpyrazol-5-yl]acetate?
The IUPAC name of methyl 2-[4-[(2,5-dichlorophenyl)methoxy]-1,3-dimethylpyrazol-5-yl]acetate (CID 18974404) is methyl 2-[4-[(2,5-dichlorophenyl)methoxy]-1,3-dimethylpyrazol-5-yl]acetate.
What is the SMILES notation for methyl 2-[4-[(2,5-dichlorophenyl)methoxy]-1,3-dimethylpyrazol-5-yl]acetate?
The canonical SMILES for methyl 2-[4-[(2,5-dichlorophenyl)methoxy]-1,3-dimethylpyrazol-5-yl]acetate is COC(=O)Cc1c(OCc2cc(Cl)ccc2Cl)c(C)nn1C.
What is the InChIKey of methyl 2-[4-[(2,5-dichlorophenyl)methoxy]-1,3-dimethylpyrazol-5-yl]acetate?
The InChIKey is MSZWAQDZLCVSKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N2O3/c1-9-15(13(19(2)18-9)7-14(20)21-3)22-8-10-6-11(16)4-5-12(10)17/h4-6H,7-8H2,1-3H3.
What are the key properties of methyl 2-[4-[(2,5-dichlorophenyl)methoxy]-1,3-dimethylpyrazol-5-yl]acetate?
methyl 2-[4-[(2,5-dichlorophenyl)methoxy]-1,3-dimethylpyrazol-5-yl]acetate has a molecular weight of 343.21 g/mol, XLogP of 3.33, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[(2,5-dichlorophenyl)methoxy]-1,3-dimethylpyrazol-5-yl]acetate is sourced from PubChem (CID 18974404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).