[4-[4-(hydroxymethyl)-1,3-dimethylpyrazol-5-yl]oxyphenyl]methanol

C13H16N2O3 — CID 61228953

IUPAC[4-[4-(hydroxymethyl)-1,3-dimethylpyrazol-5-yl]oxyphenyl]methanol
SMILESCc1nn(C)c(Oc2ccc(CO)cc2)c1CO
InChIInChI=1S/C13H16N2O3/c1-9-12(8-17)13(15(2)14-9)18-11-5-3-10(7-16)4-6-11/h3-6,16-17H,7-8H2,1-2H3
InChIKeySWZYNZUTECGCAC-UHFFFAOYSA-N
MW248.28 g/mol
LogP1.51
Rot. Bonds4

About [4-[4-(hydroxymethyl)-1,3-dimethylpyrazol-5-yl]oxyphenyl]methanol

[4-[4-(hydroxymethyl)-1,3-dimethylpyrazol-5-yl]oxyphenyl]methanol (PubChem CID 61228953) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is [4-[4-(hydroxymethyl)-1,3-dimethylpyrazol-5-yl]oxyphenyl]methanol.

Molecular Properties

Compound Name[4-[4-(hydroxymethyl)-1,3-dimethylpyrazol-5-yl]oxyphenyl]methanol
PubChem CID61228953
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name[4-[4-(hydroxymethyl)-1,3-dimethylpyrazol-5-yl]oxyphenyl]methanol
SMILESCc1nn(C)c(Oc2ccc(CO)cc2)c1CO
InChIInChI=1S/C13H16N2O3/c1-9-12(8-17)13(15(2)14-9)18-11-5-3-10(7-16)4-6-11/h3-6,16-17H,7-8H2,1-2H3
InChIKeySWZYNZUTECGCAC-UHFFFAOYSA-N
XLogP1.51
TPSA67.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[4-(hydroxymethyl)-1,3-dimethylpyrazol-5-yl]oxyphenyl]methanol?
The IUPAC name of [4-[4-(hydroxymethyl)-1,3-dimethylpyrazol-5-yl]oxyphenyl]methanol (CID 61228953) is [4-[4-(hydroxymethyl)-1,3-dimethylpyrazol-5-yl]oxyphenyl]methanol.
What is the SMILES notation for [4-[4-(hydroxymethyl)-1,3-dimethylpyrazol-5-yl]oxyphenyl]methanol?
The canonical SMILES for [4-[4-(hydroxymethyl)-1,3-dimethylpyrazol-5-yl]oxyphenyl]methanol is Cc1nn(C)c(Oc2ccc(CO)cc2)c1CO.
What is the InChIKey of [4-[4-(hydroxymethyl)-1,3-dimethylpyrazol-5-yl]oxyphenyl]methanol?
The InChIKey is SWZYNZUTECGCAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-9-12(8-17)13(15(2)14-9)18-11-5-3-10(7-16)4-6-11/h3-6,16-17H,7-8H2,1-2H3.
What are the key properties of [4-[4-(hydroxymethyl)-1,3-dimethylpyrazol-5-yl]oxyphenyl]methanol?
[4-[4-(hydroxymethyl)-1,3-dimethylpyrazol-5-yl]oxyphenyl]methanol has a molecular weight of 248.28 g/mol, XLogP of 1.51, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(hydroxymethyl)-1,3-dimethylpyrazol-5-yl]oxyphenyl]methanol is sourced from PubChem (CID 61228953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).