methyl 3-(3,5-dimethoxyphenyl)-1H-pyrazole-5-carboxylate

C13H14N2O4 — CID 154024628

IUPACmethyl 3-(3,5-dimethoxyphenyl)-1H-pyrazole-5-carboxylate
SMILESCOC(=O)c1cc(-c2cc(OC)cc(OC)c2)n[nH]1
InChIInChI=1S/C13H14N2O4/c1-17-9-4-8(5-10(6-9)18-2)11-7-12(15-14-11)13(16)19-3/h4-7H,1-3H3,(H,14,15)
InChIKeyYOEOIDJVGXQZHW-UHFFFAOYSA-N
MW262.26 g/mol
LogP1.88
Rot. Bonds4

About methyl 3-(3,5-dimethoxyphenyl)-1H-pyrazole-5-carboxylate

methyl 3-(3,5-dimethoxyphenyl)-1H-pyrazole-5-carboxylate (PubChem CID 154024628) has the molecular formula C13H14N2O4 and a molecular weight of 262.26 g/mol. Its IUPAC name is methyl 3-(3,5-dimethoxyphenyl)-1H-pyrazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 3-(3,5-dimethoxyphenyl)-1H-pyrazole-5-carboxylate
PubChem CID154024628
Molecular FormulaC13H14N2O4
Molecular Weight262.26 g/mol
Exact Mass262.10
IUPAC Namemethyl 3-(3,5-dimethoxyphenyl)-1H-pyrazole-5-carboxylate
SMILESCOC(=O)c1cc(-c2cc(OC)cc(OC)c2)n[nH]1
InChIInChI=1S/C13H14N2O4/c1-17-9-4-8(5-10(6-9)18-2)11-7-12(15-14-11)13(16)19-3/h4-7H,1-3H3,(H,14,15)
InChIKeyYOEOIDJVGXQZHW-UHFFFAOYSA-N
XLogP1.88
TPSA73.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-(4-fluorophenyl)-1H-pyrazole-5-carboxylate
CID 718672
methyl 3-phenyl-1H-pyrazole-5-carboxylate
CID 644585
3-(3-methoxy-5-methylphenyl)-1H-pyrazole-5-carboxylic acid
CID 117336054
methyl 3-(4-ethoxyphenyl)-1H-pyrazole-5-carboxylate
CID 2042513
methyl 3-thiophen-3-yl-1H-pyrazole-5-carboxylate
CID 121205064
methyl 3-(3,5-dimethyl-4-propan-2-yloxyphenyl)-1H-pyrazole-5-carboxylate
CID 50850107
N-(3,5-dimethoxyphenyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 45030480
methyl 3-(1-methylpyrazol-4-yl)-1H-pyrazole-5-carboxylate
CID 86207960
methyl 3-(3-bromophenyl)-1H-pyrazole-5-carboxylate
CID 45496305
methyl 3-[3-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxylate
CID 121205112
methyl 3-(2,3,4-trimethoxyphenyl)-1H-pyrazole-5-carboxylate
CID 96830063
3-(3,4-difluoro-5-methoxycarbonylphenyl)-1H-pyrazole-5-carboxylic acid
CID 117453271

Frequently Asked Questions

What is the IUPAC name of methyl 3-(3,5-dimethoxyphenyl)-1H-pyrazole-5-carboxylate?
The IUPAC name of methyl 3-(3,5-dimethoxyphenyl)-1H-pyrazole-5-carboxylate (CID 154024628) is methyl 3-(3,5-dimethoxyphenyl)-1H-pyrazole-5-carboxylate.
What is the SMILES notation for methyl 3-(3,5-dimethoxyphenyl)-1H-pyrazole-5-carboxylate?
The canonical SMILES for methyl 3-(3,5-dimethoxyphenyl)-1H-pyrazole-5-carboxylate is COC(=O)c1cc(-c2cc(OC)cc(OC)c2)n[nH]1.
What is the InChIKey of methyl 3-(3,5-dimethoxyphenyl)-1H-pyrazole-5-carboxylate?
The InChIKey is YOEOIDJVGXQZHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4/c1-17-9-4-8(5-10(6-9)18-2)11-7-12(15-14-11)13(16)19-3/h4-7H,1-3H3,(H,14,15).
What are the key properties of methyl 3-(3,5-dimethoxyphenyl)-1H-pyrazole-5-carboxylate?
methyl 3-(3,5-dimethoxyphenyl)-1H-pyrazole-5-carboxylate has a molecular weight of 262.26 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(3,5-dimethoxyphenyl)-1H-pyrazole-5-carboxylate is sourced from PubChem (CID 154024628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).