4-(2-methylpyrazol-3-yl)-6-propylbenzene-1,3-diol

C13H16N2O2 — CID 143181839

IUPAC4-(2-methylpyrazol-3-yl)-6-propylbenzene-1,3-diol
SMILESCCCc1cc(-c2ccnn2C)c(O)cc1O
InChIInChI=1S/C13H16N2O2/c1-3-4-9-7-10(13(17)8-12(9)16)11-5-6-14-15(11)2/h5-8,16-17H,3-4H2,1-2H3
InChIKeyWXHNABPGNFXQJG-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.45
Rot. Bonds3

About 4-(2-methylpyrazol-3-yl)-6-propylbenzene-1,3-diol

4-(2-methylpyrazol-3-yl)-6-propylbenzene-1,3-diol (PubChem CID 143181839) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 4-(2-methylpyrazol-3-yl)-6-propylbenzene-1,3-diol.

Molecular Properties

Compound Name4-(2-methylpyrazol-3-yl)-6-propylbenzene-1,3-diol
PubChem CID143181839
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name4-(2-methylpyrazol-3-yl)-6-propylbenzene-1,3-diol
SMILESCCCc1cc(-c2ccnn2C)c(O)cc1O
InChIInChI=1S/C13H16N2O2/c1-3-4-9-7-10(13(17)8-12(9)16)11-5-6-14-15(11)2/h5-8,16-17H,3-4H2,1-2H3
InChIKeyWXHNABPGNFXQJG-UHFFFAOYSA-N
XLogP2.45
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4,6-dipropylbenzene-1,3-diol
CID 70496109
4-chloro-5-methyl-2-(2-methylpyrazol-3-yl)phenol
CID 137130386
4-methoxy-2-(2-methylpyrazol-3-yl)phenol
CID 136869284
4-(2-methylpyrazol-3-yl)-5-propylthiophene-2-carboxylic acid
CID 141216223
2,4-difluoro-6-(2-methylpyrazol-3-yl)phenol
CID 2804884
4-[(E)-hydroxyiminomethyl]-2-(2-methylpyrazol-3-yl)phenol
CID 137261940
1-[4-hydroxy-3-(2-methylpyrazol-3-yl)phenyl]propan-2-one;1-[4-methoxy-3-(2-methylpyrazol-3-yl)phenyl]propan-2-one
CID 158858743
[3-methyl-4-(2-methylpyrazol-3-yl)phenyl]methanol
CID 171393071
N-[[3-fluoro-4-(2-methylpyrazol-3-yl)phenyl]methyl]propan-1-amine
CID 81447351
4-hydroxy-2-(2-methylpyrazol-3-yl)benzaldehyde
CID 130229116
[4-fluoro-3-(2-methylpyrazol-3-yl)phenyl]methanamine
CID 63962017
[3-fluoro-4-(2-methylpyrazol-3-yl)phenyl]methanamine
CID 81447352

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpyrazol-3-yl)-6-propylbenzene-1,3-diol?
The IUPAC name of 4-(2-methylpyrazol-3-yl)-6-propylbenzene-1,3-diol (CID 143181839) is 4-(2-methylpyrazol-3-yl)-6-propylbenzene-1,3-diol.
What is the SMILES notation for 4-(2-methylpyrazol-3-yl)-6-propylbenzene-1,3-diol?
The canonical SMILES for 4-(2-methylpyrazol-3-yl)-6-propylbenzene-1,3-diol is CCCc1cc(-c2ccnn2C)c(O)cc1O.
What is the InChIKey of 4-(2-methylpyrazol-3-yl)-6-propylbenzene-1,3-diol?
The InChIKey is WXHNABPGNFXQJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-3-4-9-7-10(13(17)8-12(9)16)11-5-6-14-15(11)2/h5-8,16-17H,3-4H2,1-2H3.
What are the key properties of 4-(2-methylpyrazol-3-yl)-6-propylbenzene-1,3-diol?
4-(2-methylpyrazol-3-yl)-6-propylbenzene-1,3-diol has a molecular weight of 232.28 g/mol, XLogP of 2.45, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpyrazol-3-yl)-6-propylbenzene-1,3-diol is sourced from PubChem (CID 143181839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).