5-[2,4-dimethoxy-3-(methoxymethyl)phenyl]-1-methylpyrazole-3-carboxylic acid

C15H18N2O5 — CID 117491526

IUPAC5-[2,4-dimethoxy-3-(methoxymethyl)phenyl]-1-methylpyrazole-3-carboxylic acid
SMILESCOCc1c(OC)ccc(-c2cc(C(=O)O)nn2C)c1OC
InChIInChI=1S/C15H18N2O5/c1-17-12(7-11(16-17)15(18)19)9-5-6-13(21-3)10(8-20-2)14(9)22-4/h5-7H,8H2,1-4H3,(H,18,19)
InChIKeyATVRBMBKVGPNLV-UHFFFAOYSA-N
MW306.32 g/mol
LogP1.95
Rot. Bonds6

About 5-[2,4-dimethoxy-3-(methoxymethyl)phenyl]-1-methylpyrazole-3-carboxylic acid

5-[2,4-dimethoxy-3-(methoxymethyl)phenyl]-1-methylpyrazole-3-carboxylic acid (PubChem CID 117491526) has the molecular formula C15H18N2O5 and a molecular weight of 306.32 g/mol. Its IUPAC name is 5-[2,4-dimethoxy-3-(methoxymethyl)phenyl]-1-methylpyrazole-3-carboxylic acid.

Molecular Properties

Compound Name5-[2,4-dimethoxy-3-(methoxymethyl)phenyl]-1-methylpyrazole-3-carboxylic acid
PubChem CID117491526
Molecular FormulaC15H18N2O5
Molecular Weight306.32 g/mol
Exact Mass306.12
IUPAC Name5-[2,4-dimethoxy-3-(methoxymethyl)phenyl]-1-methylpyrazole-3-carboxylic acid
SMILESCOCc1c(OC)ccc(-c2cc(C(=O)O)nn2C)c1OC
InChIInChI=1S/C15H18N2O5/c1-17-12(7-11(16-17)15(18)19)9-5-6-13(21-3)10(8-20-2)14(9)22-4/h5-7H,8H2,1-4H3,(H,18,19)
InChIKeyATVRBMBKVGPNLV-UHFFFAOYSA-N
XLogP1.95
TPSA82.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(2-hydroxy-3,4-dimethoxyphenyl)-1-methylpyrazole-3-carboxylic acid
CID 136932005
5-(7-methoxy-1-methylindol-4-yl)-1-methylpyrazole-3-carboxylic acid
CID 117459377
5-(4-fluoro-2-methoxyphenyl)-1-methylpyrazole-3-carboxylic acid
CID 68642030
5-(4-methoxy-1-methylindol-5-yl)-1-methylpyrazole-3-carboxylic acid
CID 117459375
5-[5-(2,2-dimethylpropyl)-2-methoxyphenyl]-1-methylpyrazole-3-carboxylic acid
CID 117487199
5-(2,5-dimethoxy-3,4-dimethylphenyl)-1-methylpyrazole-3-carboxylic acid
CID 117469018
5-(5-cyclopentyl-2-methoxyphenyl)-1-methylpyrazole-3-carboxylic acid
CID 117484183
5-(5-methoxy-2,3-dihydro-1,4-benzodioxin-6-yl)-1-methylpyrazole-3-carboxylic acid
CID 117468837
5-[8-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]-1-methylpyrazole-3-carboxylic acid
CID 117489528
5-(4-chloro-3-fluoro-2-methoxyphenyl)-1-methylpyrazole-3-carboxylic acid
CID 117458112
5-(2-hydroxy-3-methoxyphenyl)-1-methylpyrazole-3-carboxylic acid
CID 136998005
5-[2,5-difluoro-4-(methoxymethyl)phenyl]-1-methylpyrazole-3-carboxylic acid
CID 117453354

Frequently Asked Questions

What is the IUPAC name of 5-[2,4-dimethoxy-3-(methoxymethyl)phenyl]-1-methylpyrazole-3-carboxylic acid?
The IUPAC name of 5-[2,4-dimethoxy-3-(methoxymethyl)phenyl]-1-methylpyrazole-3-carboxylic acid (CID 117491526) is 5-[2,4-dimethoxy-3-(methoxymethyl)phenyl]-1-methylpyrazole-3-carboxylic acid.
What is the SMILES notation for 5-[2,4-dimethoxy-3-(methoxymethyl)phenyl]-1-methylpyrazole-3-carboxylic acid?
The canonical SMILES for 5-[2,4-dimethoxy-3-(methoxymethyl)phenyl]-1-methylpyrazole-3-carboxylic acid is COCc1c(OC)ccc(-c2cc(C(=O)O)nn2C)c1OC.
What is the InChIKey of 5-[2,4-dimethoxy-3-(methoxymethyl)phenyl]-1-methylpyrazole-3-carboxylic acid?
The InChIKey is ATVRBMBKVGPNLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O5/c1-17-12(7-11(16-17)15(18)19)9-5-6-13(21-3)10(8-20-2)14(9)22-4/h5-7H,8H2,1-4H3,(H,18,19).
What are the key properties of 5-[2,4-dimethoxy-3-(methoxymethyl)phenyl]-1-methylpyrazole-3-carboxylic acid?
5-[2,4-dimethoxy-3-(methoxymethyl)phenyl]-1-methylpyrazole-3-carboxylic acid has a molecular weight of 306.32 g/mol, XLogP of 1.95, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2,4-dimethoxy-3-(methoxymethyl)phenyl]-1-methylpyrazole-3-carboxylic acid is sourced from PubChem (CID 117491526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).