methyl 3-(methoxymethyl)-1-(3-methoxyphenyl)pyrazole-4-carboxylate

C14H16N2O4 — CID 66777683

IUPACmethyl 3-(methoxymethyl)-1-(3-methoxyphenyl)pyrazole-4-carboxylate
SMILESCOCc1nn(-c2cccc(OC)c2)cc1C(=O)OC
InChIInChI=1S/C14H16N2O4/c1-18-9-13-12(14(17)20-3)8-16(15-13)10-5-4-6-11(7-10)19-2/h4-8H,9H2,1-3H3
InChIKeyZFTSWCVQBMNPRR-UHFFFAOYSA-N
MW276.29 g/mol
LogP1.81
Rot. Bonds5

About methyl 3-(methoxymethyl)-1-(3-methoxyphenyl)pyrazole-4-carboxylate

methyl 3-(methoxymethyl)-1-(3-methoxyphenyl)pyrazole-4-carboxylate (PubChem CID 66777683) has the molecular formula C14H16N2O4 and a molecular weight of 276.29 g/mol. Its IUPAC name is methyl 3-(methoxymethyl)-1-(3-methoxyphenyl)pyrazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-(methoxymethyl)-1-(3-methoxyphenyl)pyrazole-4-carboxylate
PubChem CID66777683
Molecular FormulaC14H16N2O4
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Namemethyl 3-(methoxymethyl)-1-(3-methoxyphenyl)pyrazole-4-carboxylate
SMILESCOCc1nn(-c2cccc(OC)c2)cc1C(=O)OC
InChIInChI=1S/C14H16N2O4/c1-18-9-13-12(14(17)20-3)8-16(15-13)10-5-4-6-11(7-10)19-2/h4-8H,9H2,1-3H3
InChIKeyZFTSWCVQBMNPRR-UHFFFAOYSA-N
XLogP1.81
TPSA62.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-ethyl-1-(3-methoxyphenyl)pyrazole-4-carboxylic acid
CID 82295157
3-(methoxymethyl)-1-phenylpyrazole-4-carbaldehyde;methyl 3-(methoxymethyl)-1-phenylpyrazole-4-carboxylate
CID 161466697
methyl 3-ethyl-1-(4-methoxyphenyl)pyrazole-4-carboxylate
CID 66778583
3-[4-bromo-1-(3-methoxyphenyl)pyrazol-3-yl]propanoic acid
CID 116818732
dimethyl 1-phenylpyrazole-3,4-dicarboxylate
CID 648745
1-(3-methoxyphenyl)-3-thiophen-2-ylpyrazole-4-carboxylic acid
CID 114798384
methyl 1-(3-bromophenyl)-3,5-bis(methoxymethyl)pyrazole-4-carboxylate
CID 67314720
4-methoxy-3-(methoxymethyl)-1-phenylpyrazole
CID 174644530
2-[1-(3-methoxyphenyl)pyrazol-3-yl]acetic acid
CID 82390451
methyl 2-methyl-5-[[3-(tetrazol-1-yl)phenoxy]methyl]furan-3-carboxylate
CID 7705728
N-(3-hydroxypropyl)-3-(3-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 78795829
N'-(4-hydroxy-1-phenylpyrazole-3-carbonyl)-3-(3-methoxyphenyl)-1-phenylpyrazole-4-carbohydrazide
CID 55369983

Frequently Asked Questions

What is the IUPAC name of methyl 3-(methoxymethyl)-1-(3-methoxyphenyl)pyrazole-4-carboxylate?
The IUPAC name of methyl 3-(methoxymethyl)-1-(3-methoxyphenyl)pyrazole-4-carboxylate (CID 66777683) is methyl 3-(methoxymethyl)-1-(3-methoxyphenyl)pyrazole-4-carboxylate.
What is the SMILES notation for methyl 3-(methoxymethyl)-1-(3-methoxyphenyl)pyrazole-4-carboxylate?
The canonical SMILES for methyl 3-(methoxymethyl)-1-(3-methoxyphenyl)pyrazole-4-carboxylate is COCc1nn(-c2cccc(OC)c2)cc1C(=O)OC.
What is the InChIKey of methyl 3-(methoxymethyl)-1-(3-methoxyphenyl)pyrazole-4-carboxylate?
The InChIKey is ZFTSWCVQBMNPRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4/c1-18-9-13-12(14(17)20-3)8-16(15-13)10-5-4-6-11(7-10)19-2/h4-8H,9H2,1-3H3.
What are the key properties of methyl 3-(methoxymethyl)-1-(3-methoxyphenyl)pyrazole-4-carboxylate?
methyl 3-(methoxymethyl)-1-(3-methoxyphenyl)pyrazole-4-carboxylate has a molecular weight of 276.29 g/mol, XLogP of 1.81, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(methoxymethyl)-1-(3-methoxyphenyl)pyrazole-4-carboxylate is sourced from PubChem (CID 66777683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).