[5-methoxy-1-(2-methoxyphenyl)-3-propan-2-ylpyrazol-4-yl]methanol

C15H20N2O3 — CID 117123466

IUPAC[5-methoxy-1-(2-methoxyphenyl)-3-propan-2-ylpyrazol-4-yl]methanol
SMILESCOc1ccccc1-n1nc(C(C)C)c(CO)c1OC
InChIInChI=1S/C15H20N2O3/c1-10(2)14-11(9-18)15(20-4)17(16-14)12-7-5-6-8-13(12)19-3/h5-8,10,18H,9H2,1-4H3
InChIKeyHSFGPYCNHFGAAJ-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.51
Rot. Bonds5

About [5-methoxy-1-(2-methoxyphenyl)-3-propan-2-ylpyrazol-4-yl]methanol

[5-methoxy-1-(2-methoxyphenyl)-3-propan-2-ylpyrazol-4-yl]methanol (PubChem CID 117123466) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is [5-methoxy-1-(2-methoxyphenyl)-3-propan-2-ylpyrazol-4-yl]methanol.

Molecular Properties

Compound Name[5-methoxy-1-(2-methoxyphenyl)-3-propan-2-ylpyrazol-4-yl]methanol
PubChem CID117123466
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name[5-methoxy-1-(2-methoxyphenyl)-3-propan-2-ylpyrazol-4-yl]methanol
SMILESCOc1ccccc1-n1nc(C(C)C)c(CO)c1OC
InChIInChI=1S/C15H20N2O3/c1-10(2)14-11(9-18)15(20-4)17(16-14)12-7-5-6-8-13(12)19-3/h5-8,10,18H,9H2,1-4H3
InChIKeyHSFGPYCNHFGAAJ-UHFFFAOYSA-N
XLogP2.51
TPSA56.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(5-methoxy-1-phenyl-3-propan-2-ylpyrazol-4-yl)methanol
CID 117123429
[5-methoxy-1-(2-methylphenyl)-3-propan-2-ylpyrazol-4-yl]methanamine
CID 117123535
2-[5-methoxy-1-(2-methylphenyl)-3-propan-2-ylpyrazol-4-yl]acetic acid
CID 117123695
3-[1-(2-hydroxyphenyl)-5-methoxy-3-propan-2-ylpyrazol-4-yl]propanoic acid
CID 117123755
5-chloro-1-(2-methoxyphenyl)-3-propan-2-ylpyrazole-4-carboxylic acid
CID 63033151
2-[5-methoxy-1-(2-methoxyphenyl)-3-methylpyrazol-4-yl]ethanamine
CID 117123596
[5-chloro-3-(methoxymethyl)-1-(2-methoxyphenyl)pyrazol-4-yl]methanol
CID 63033331
(1R)-1-[2-(2-methoxyphenyl)-5-propan-2-yl-1,2,4-triazol-3-yl]propan-1-ol
CID 95129186
[5-chloro-1-(2-fluorophenyl)-3-propan-2-ylpyrazol-4-yl]methanol
CID 43333643
3-(5-methoxy-1-phenyl-3-propan-2-ylpyrazol-4-yl)propanoic acid
CID 117123727
5-hydroxy-6-(hydroxymethyl)-2-(2-methoxyphenyl)pyridazin-3-one
CID 82419462
3-tert-butyl-1-(2-methoxyphenyl)-5-propan-2-ylpyrazole
CID 58171700

Frequently Asked Questions

What is the IUPAC name of [5-methoxy-1-(2-methoxyphenyl)-3-propan-2-ylpyrazol-4-yl]methanol?
The IUPAC name of [5-methoxy-1-(2-methoxyphenyl)-3-propan-2-ylpyrazol-4-yl]methanol (CID 117123466) is [5-methoxy-1-(2-methoxyphenyl)-3-propan-2-ylpyrazol-4-yl]methanol.
What is the SMILES notation for [5-methoxy-1-(2-methoxyphenyl)-3-propan-2-ylpyrazol-4-yl]methanol?
The canonical SMILES for [5-methoxy-1-(2-methoxyphenyl)-3-propan-2-ylpyrazol-4-yl]methanol is COc1ccccc1-n1nc(C(C)C)c(CO)c1OC.
What is the InChIKey of [5-methoxy-1-(2-methoxyphenyl)-3-propan-2-ylpyrazol-4-yl]methanol?
The InChIKey is HSFGPYCNHFGAAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-10(2)14-11(9-18)15(20-4)17(16-14)12-7-5-6-8-13(12)19-3/h5-8,10,18H,9H2,1-4H3.
What are the key properties of [5-methoxy-1-(2-methoxyphenyl)-3-propan-2-ylpyrazol-4-yl]methanol?
[5-methoxy-1-(2-methoxyphenyl)-3-propan-2-ylpyrazol-4-yl]methanol has a molecular weight of 276.34 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methoxy-1-(2-methoxyphenyl)-3-propan-2-ylpyrazol-4-yl]methanol is sourced from PubChem (CID 117123466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).