methyl 3-methyl-2-[(1-methylpyrazol-3-yl)oxymethyl]benzoate

C14H16N2O3 — CID 138495699

IUPACmethyl 3-methyl-2-[(1-methylpyrazol-3-yl)oxymethyl]benzoate
SMILESCOC(=O)c1cccc(C)c1COc1ccn(C)n1
InChIInChI=1S/C14H16N2O3/c1-10-5-4-6-11(14(17)18-3)12(10)9-19-13-7-8-16(2)15-13/h4-8H,9H2,1-3H3
InChIKeyCQXFLOPIGCASLM-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.09
Rot. Bonds4

About methyl 3-methyl-2-[(1-methylpyrazol-3-yl)oxymethyl]benzoate

methyl 3-methyl-2-[(1-methylpyrazol-3-yl)oxymethyl]benzoate (PubChem CID 138495699) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is methyl 3-methyl-2-[(1-methylpyrazol-3-yl)oxymethyl]benzoate.

Molecular Properties

Compound Namemethyl 3-methyl-2-[(1-methylpyrazol-3-yl)oxymethyl]benzoate
PubChem CID138495699
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Namemethyl 3-methyl-2-[(1-methylpyrazol-3-yl)oxymethyl]benzoate
SMILESCOC(=O)c1cccc(C)c1COc1ccn(C)n1
InChIInChI=1S/C14H16N2O3/c1-10-5-4-6-11(14(17)18-3)12(10)9-19-13-7-8-16(2)15-13/h4-8H,9H2,1-3H3
InChIKeyCQXFLOPIGCASLM-UHFFFAOYSA-N
XLogP2.09
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-bromo-2-[(1-methylpyrazol-3-yl)oxymethyl]benzoate
CID 158573209
methyl 2-[(1-hydroxypyrazol-3-yl)oxymethyl]-3-methylbenzoate
CID 126575695
ethyl 3-fluoro-2-[(1-methylpyrazol-3-yl)oxymethyl]benzoate
CID 159383303
ethyl 2-[(1-methylpyrazol-3-yl)oxymethyl]-3-prop-1-en-2-ylbenzoate
CID 160994598
3-methyl-2-[(1-methylpyrazol-3-yl)oxymethyl]aniline
CID 153085603
ethyl 2-[(1-methylpyrazol-3-yl)oxymethyl]-3-propylbenzoate
CID 160566932
2-[(1-hydroxypyrazol-3-yl)oxymethyl]-3-methylbenzoic acid
CID 126579823
3-bromo-N-chloro-2-[(1-methylpyrazol-3-yl)oxymethyl]benzamide
CID 159230943
N-bromo-3-chloro-2-[(1-methylpyrazol-3-yl)oxymethyl]benzamide
CID 147911483
N-chloro-3-ethyl-2-[(1-methylpyrazol-3-yl)oxymethyl]benzamide
CID 157106420
3-ethoxy-2-[(1-methylpyrazol-3-yl)oxymethyl]benzoyl chloride
CID 161470695
3-[(2,6-dibromophenyl)methoxy]-1-methylpyrazole
CID 159067473

Frequently Asked Questions

What is the IUPAC name of methyl 3-methyl-2-[(1-methylpyrazol-3-yl)oxymethyl]benzoate?
The IUPAC name of methyl 3-methyl-2-[(1-methylpyrazol-3-yl)oxymethyl]benzoate (CID 138495699) is methyl 3-methyl-2-[(1-methylpyrazol-3-yl)oxymethyl]benzoate.
What is the SMILES notation for methyl 3-methyl-2-[(1-methylpyrazol-3-yl)oxymethyl]benzoate?
The canonical SMILES for methyl 3-methyl-2-[(1-methylpyrazol-3-yl)oxymethyl]benzoate is COC(=O)c1cccc(C)c1COc1ccn(C)n1.
What is the InChIKey of methyl 3-methyl-2-[(1-methylpyrazol-3-yl)oxymethyl]benzoate?
The InChIKey is CQXFLOPIGCASLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-10-5-4-6-11(14(17)18-3)12(10)9-19-13-7-8-16(2)15-13/h4-8H,9H2,1-3H3.
What are the key properties of methyl 3-methyl-2-[(1-methylpyrazol-3-yl)oxymethyl]benzoate?
methyl 3-methyl-2-[(1-methylpyrazol-3-yl)oxymethyl]benzoate has a molecular weight of 260.29 g/mol, XLogP of 2.09, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methyl-2-[(1-methylpyrazol-3-yl)oxymethyl]benzoate is sourced from PubChem (CID 138495699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).