(3,5-dimethylpyrazol-1-yl)-(4-hydroxy-3-methoxyphenyl)methanone

C13H14N2O3 — CID 1485768

IUPAC(3,5-dimethylpyrazol-1-yl)-(4-hydroxy-3-methoxyphenyl)methanone
SMILESCOc1cc(C(=O)n2nc(C)cc2C)ccc1O
InChIInChI=1S/C13H14N2O3/c1-8-6-9(2)15(14-8)13(17)10-4-5-11(16)12(7-10)18-3/h4-7,16H,1-3H3
InChIKeyYRCJQSOMTKRNQO-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.90
Rot. Bonds2

About (3,5-dimethylpyrazol-1-yl)-(4-hydroxy-3-methoxyphenyl)methanone

(3,5-dimethylpyrazol-1-yl)-(4-hydroxy-3-methoxyphenyl)methanone (PubChem CID 1485768) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is (3,5-dimethylpyrazol-1-yl)-(4-hydroxy-3-methoxyphenyl)methanone.

Molecular Properties

Compound Name(3,5-dimethylpyrazol-1-yl)-(4-hydroxy-3-methoxyphenyl)methanone
PubChem CID1485768
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Name(3,5-dimethylpyrazol-1-yl)-(4-hydroxy-3-methoxyphenyl)methanone
SMILESCOc1cc(C(=O)n2nc(C)cc2C)ccc1O
InChIInChI=1S/C13H14N2O3/c1-8-6-9(2)15(14-8)13(17)10-4-5-11(16)12(7-10)18-3/h4-7,16H,1-3H3
InChIKeyYRCJQSOMTKRNQO-UHFFFAOYSA-N
XLogP1.90
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3-Methyl-pyrazol-1-yl)-(3,4,5-trimethoxy-phenyl)-methanone
CID 899247
1H-Pyrazole, 1-(1,3-benzodioxol-5-ylcarbonyl)-3,5-dimethyl-
CID 686254
(4-Bromo-3,5-dimethylpyrazol-1-yl)(4-methoxyphenyl)methanone
CID 714833
Pyrazole, 3,5-dimethyl-1-(3,4,5-trimethoxybenzoyl)-
CID 737529
(3,4,5-Trimethoxy-phenyl)-(3,4,5-trimethyl-pyrazol-1-yl)-methanone
CID 753830
(3,5-dimethyl-1H-pyrazol-1-yl)(4-methoxyphenyl)methanone
CID 910410
N-(2-(3,5-dimethyl-1H-pyrazol-1-yl)-2-oxoethyl)-3,4-dimethoxybenzamide
CID 658857
N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-2-oxoethyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 658961
4-hydroxy-N'-(2-{3-nitro-5-methyl-1H-pyrazol-1-yl}-1-methylethylidene)-3-methoxybenzohydrazide
CID 9616109
4-bromo-1-(3,4-dimethoxybenzoyl)-3,5-dimethyl-1H-pyrazole
CID 712606
1-(3,4-dimethoxybenzoyl)-3,5-dimethyl-1H-pyrazole
CID 753833
N-(2,5-dimethyl-1H-pyrrol-1-yl)-3,4-dimethoxybenzamide
CID 969673

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylpyrazol-1-yl)-(4-hydroxy-3-methoxyphenyl)methanone?
The IUPAC name of (3,5-dimethylpyrazol-1-yl)-(4-hydroxy-3-methoxyphenyl)methanone (CID 1485768) is (3,5-dimethylpyrazol-1-yl)-(4-hydroxy-3-methoxyphenyl)methanone.
What is the SMILES notation for (3,5-dimethylpyrazol-1-yl)-(4-hydroxy-3-methoxyphenyl)methanone?
The canonical SMILES for (3,5-dimethylpyrazol-1-yl)-(4-hydroxy-3-methoxyphenyl)methanone is COc1cc(C(=O)n2nc(C)cc2C)ccc1O.
What is the InChIKey of (3,5-dimethylpyrazol-1-yl)-(4-hydroxy-3-methoxyphenyl)methanone?
The InChIKey is YRCJQSOMTKRNQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3/c1-8-6-9(2)15(14-8)13(17)10-4-5-11(16)12(7-10)18-3/h4-7,16H,1-3H3.
What are the key properties of (3,5-dimethylpyrazol-1-yl)-(4-hydroxy-3-methoxyphenyl)methanone?
(3,5-dimethylpyrazol-1-yl)-(4-hydroxy-3-methoxyphenyl)methanone has a molecular weight of 246.27 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylpyrazol-1-yl)-(4-hydroxy-3-methoxyphenyl)methanone is sourced from PubChem (CID 1485768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).