(5-hydroxy-3,5-dimethyl-4H-pyrazol-1-yl)-(2-hydroxyphenyl)methanone

C12H14N2O3 — CID 56698524

IUPAC(5-hydroxy-3,5-dimethyl-4H-pyrazol-1-yl)-(2-hydroxyphenyl)methanone
SMILESCC1=NN(C(=O)c2ccccc2O)C(C)(O)C1
InChIInChI=1S/C12H14N2O3/c1-8-7-12(2,17)14(13-8)11(16)9-5-3-4-6-10(9)15/h3-6,15,17H,7H2,1-2H3
InChIKeyKPWSKZRFMRAIDN-UHFFFAOYSA-N
MW234.26 g/mol
LogP1.32
Rot. Bonds1

About (5-hydroxy-3,5-dimethyl-4H-pyrazol-1-yl)-(2-hydroxyphenyl)methanone

(5-hydroxy-3,5-dimethyl-4H-pyrazol-1-yl)-(2-hydroxyphenyl)methanone (PubChem CID 56698524) has the molecular formula C12H14N2O3 and a molecular weight of 234.26 g/mol. Its IUPAC name is (5-hydroxy-3,5-dimethyl-4H-pyrazol-1-yl)-(2-hydroxyphenyl)methanone.

Molecular Properties

Compound Name(5-hydroxy-3,5-dimethyl-4H-pyrazol-1-yl)-(2-hydroxyphenyl)methanone
PubChem CID56698524
Molecular FormulaC12H14N2O3
Molecular Weight234.26 g/mol
Exact Mass234.10
IUPAC Name(5-hydroxy-3,5-dimethyl-4H-pyrazol-1-yl)-(2-hydroxyphenyl)methanone
SMILESCC1=NN(C(=O)c2ccccc2O)C(C)(O)C1
InChIInChI=1S/C12H14N2O3/c1-8-7-12(2,17)14(13-8)11(16)9-5-3-4-6-10(9)15/h3-6,15,17H,7H2,1-2H3
InChIKeyKPWSKZRFMRAIDN-UHFFFAOYSA-N
XLogP1.32
TPSA73.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-hydroxy-3,5-dimethyl-4H-pyrazol-1-yl)-(2-hydroxyphenyl)methanone?
The IUPAC name of (5-hydroxy-3,5-dimethyl-4H-pyrazol-1-yl)-(2-hydroxyphenyl)methanone (CID 56698524) is (5-hydroxy-3,5-dimethyl-4H-pyrazol-1-yl)-(2-hydroxyphenyl)methanone.
What is the SMILES notation for (5-hydroxy-3,5-dimethyl-4H-pyrazol-1-yl)-(2-hydroxyphenyl)methanone?
The canonical SMILES for (5-hydroxy-3,5-dimethyl-4H-pyrazol-1-yl)-(2-hydroxyphenyl)methanone is CC1=NN(C(=O)c2ccccc2O)C(C)(O)C1.
What is the InChIKey of (5-hydroxy-3,5-dimethyl-4H-pyrazol-1-yl)-(2-hydroxyphenyl)methanone?
The InChIKey is KPWSKZRFMRAIDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c1-8-7-12(2,17)14(13-8)11(16)9-5-3-4-6-10(9)15/h3-6,15,17H,7H2,1-2H3.
What are the key properties of (5-hydroxy-3,5-dimethyl-4H-pyrazol-1-yl)-(2-hydroxyphenyl)methanone?
(5-hydroxy-3,5-dimethyl-4H-pyrazol-1-yl)-(2-hydroxyphenyl)methanone has a molecular weight of 234.26 g/mol, XLogP of 1.32, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-hydroxy-3,5-dimethyl-4H-pyrazol-1-yl)-(2-hydroxyphenyl)methanone is sourced from PubChem (CID 56698524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).