2-[4-(3-hydroxypropyl)-5-methylpyrazol-1-yl]phenol

C13H16N2O2 — CID 105490887

IUPAC2-[4-(3-hydroxypropyl)-5-methylpyrazol-1-yl]phenol
SMILESCc1c(CCCO)cnn1-c1ccccc1O
InChIInChI=1S/C13H16N2O2/c1-10-11(5-4-8-16)9-14-15(10)12-6-2-3-7-13(12)17/h2-3,6-7,9,16-17H,4-5,8H2,1H3
InChIKeyWNIGPYWFPAFPQD-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.81
Rot. Bonds4

About 2-[4-(3-hydroxypropyl)-5-methylpyrazol-1-yl]phenol

2-[4-(3-hydroxypropyl)-5-methylpyrazol-1-yl]phenol (PubChem CID 105490887) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 2-[4-(3-hydroxypropyl)-5-methylpyrazol-1-yl]phenol.

Molecular Properties

Compound Name2-[4-(3-hydroxypropyl)-5-methylpyrazol-1-yl]phenol
PubChem CID105490887
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name2-[4-(3-hydroxypropyl)-5-methylpyrazol-1-yl]phenol
SMILESCc1c(CCCO)cnn1-c1ccccc1O
InChIInChI=1S/C13H16N2O2/c1-10-11(5-4-8-16)9-14-15(10)12-6-2-3-7-13(12)17/h2-3,6-7,9,16-17H,4-5,8H2,1H3
InChIKeyWNIGPYWFPAFPQD-UHFFFAOYSA-N
XLogP1.81
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-hydroxypropyl)-5-methylpyrazol-1-yl]phenol?
The IUPAC name of 2-[4-(3-hydroxypropyl)-5-methylpyrazol-1-yl]phenol (CID 105490887) is 2-[4-(3-hydroxypropyl)-5-methylpyrazol-1-yl]phenol.
What is the SMILES notation for 2-[4-(3-hydroxypropyl)-5-methylpyrazol-1-yl]phenol?
The canonical SMILES for 2-[4-(3-hydroxypropyl)-5-methylpyrazol-1-yl]phenol is Cc1c(CCCO)cnn1-c1ccccc1O.
What is the InChIKey of 2-[4-(3-hydroxypropyl)-5-methylpyrazol-1-yl]phenol?
The InChIKey is WNIGPYWFPAFPQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-10-11(5-4-8-16)9-14-15(10)12-6-2-3-7-13(12)17/h2-3,6-7,9,16-17H,4-5,8H2,1H3.
What are the key properties of 2-[4-(3-hydroxypropyl)-5-methylpyrazol-1-yl]phenol?
2-[4-(3-hydroxypropyl)-5-methylpyrazol-1-yl]phenol has a molecular weight of 232.28 g/mol, XLogP of 1.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-hydroxypropyl)-5-methylpyrazol-1-yl]phenol is sourced from PubChem (CID 105490887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).