[5-chloro-3-(methoxymethyl)-1-(2-methoxyphenyl)pyrazol-4-yl]methanol

C13H15ClN2O3 — CID 63033331

IUPAC[5-chloro-3-(methoxymethyl)-1-(2-methoxyphenyl)pyrazol-4-yl]methanol
SMILESCOCc1nn(-c2ccccc2OC)c(Cl)c1CO
InChIInChI=1S/C13H15ClN2O3/c1-18-8-10-9(7-17)13(14)16(15-10)11-5-3-4-6-12(11)19-2/h3-6,17H,7-8H2,1-2H3
InChIKeyMKLBPHDRWYOCAZ-UHFFFAOYSA-N
MW282.73 g/mol
LogP2.17
Rot. Bonds5

About [5-chloro-3-(methoxymethyl)-1-(2-methoxyphenyl)pyrazol-4-yl]methanol

[5-chloro-3-(methoxymethyl)-1-(2-methoxyphenyl)pyrazol-4-yl]methanol (PubChem CID 63033331) has the molecular formula C13H15ClN2O3 and a molecular weight of 282.73 g/mol. Its IUPAC name is [5-chloro-3-(methoxymethyl)-1-(2-methoxyphenyl)pyrazol-4-yl]methanol.

Molecular Properties

Compound Name[5-chloro-3-(methoxymethyl)-1-(2-methoxyphenyl)pyrazol-4-yl]methanol
PubChem CID63033331
Molecular FormulaC13H15ClN2O3
Molecular Weight282.73 g/mol
Exact Mass282.08
IUPAC Name[5-chloro-3-(methoxymethyl)-1-(2-methoxyphenyl)pyrazol-4-yl]methanol
SMILESCOCc1nn(-c2ccccc2OC)c(Cl)c1CO
InChIInChI=1S/C13H15ClN2O3/c1-18-8-10-9(7-17)13(14)16(15-10)11-5-3-4-6-12(11)19-2/h3-6,17H,7-8H2,1-2H3
InChIKeyMKLBPHDRWYOCAZ-UHFFFAOYSA-N
XLogP2.17
TPSA56.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.73
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-chloro-3-(methoxymethyl)-1-(2-methoxyphenyl)pyrazol-4-yl]methanol?
The IUPAC name of [5-chloro-3-(methoxymethyl)-1-(2-methoxyphenyl)pyrazol-4-yl]methanol (CID 63033331) is [5-chloro-3-(methoxymethyl)-1-(2-methoxyphenyl)pyrazol-4-yl]methanol.
What is the SMILES notation for [5-chloro-3-(methoxymethyl)-1-(2-methoxyphenyl)pyrazol-4-yl]methanol?
The canonical SMILES for [5-chloro-3-(methoxymethyl)-1-(2-methoxyphenyl)pyrazol-4-yl]methanol is COCc1nn(-c2ccccc2OC)c(Cl)c1CO.
What is the InChIKey of [5-chloro-3-(methoxymethyl)-1-(2-methoxyphenyl)pyrazol-4-yl]methanol?
The InChIKey is MKLBPHDRWYOCAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O3/c1-18-8-10-9(7-17)13(14)16(15-10)11-5-3-4-6-12(11)19-2/h3-6,17H,7-8H2,1-2H3.
What are the key properties of [5-chloro-3-(methoxymethyl)-1-(2-methoxyphenyl)pyrazol-4-yl]methanol?
[5-chloro-3-(methoxymethyl)-1-(2-methoxyphenyl)pyrazol-4-yl]methanol has a molecular weight of 282.73 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-3-(methoxymethyl)-1-(2-methoxyphenyl)pyrazol-4-yl]methanol is sourced from PubChem (CID 63033331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).