5-(3-hydroxy-4-methoxyphenyl)-4,4-dimethyl-2-propan-2-ylpyrazol-3-one

C15H20N2O3 — CID 71462420

IUPAC5-(3-hydroxy-4-methoxyphenyl)-4,4-dimethyl-2-propan-2-ylpyrazol-3-one
SMILESCOc1ccc(C2=NN(C(C)C)C(=O)C2(C)C)cc1O
InChIInChI=1S/C15H20N2O3/c1-9(2)17-14(19)15(3,4)13(16-17)10-6-7-12(20-5)11(18)8-10/h6-9,18H,1-5H3
InChIKeyMQZWLOWOSDAWAW-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.38
Rot. Bonds3

About 5-(3-hydroxy-4-methoxyphenyl)-4,4-dimethyl-2-propan-2-ylpyrazol-3-one

5-(3-hydroxy-4-methoxyphenyl)-4,4-dimethyl-2-propan-2-ylpyrazol-3-one (PubChem CID 71462420) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 5-(3-hydroxy-4-methoxyphenyl)-4,4-dimethyl-2-propan-2-ylpyrazol-3-one.

Molecular Properties

Compound Name5-(3-hydroxy-4-methoxyphenyl)-4,4-dimethyl-2-propan-2-ylpyrazol-3-one
PubChem CID71462420
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name5-(3-hydroxy-4-methoxyphenyl)-4,4-dimethyl-2-propan-2-ylpyrazol-3-one
SMILESCOc1ccc(C2=NN(C(C)C)C(=O)C2(C)C)cc1O
InChIInChI=1S/C15H20N2O3/c1-9(2)17-14(19)15(3,4)13(16-17)10-6-7-12(20-5)11(18)8-10/h6-9,18H,1-5H3
InChIKeyMQZWLOWOSDAWAW-UHFFFAOYSA-N
XLogP2.38
TPSA62.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3-hydroxy-4-methoxyphenyl)-4,4-dimethyl-2-propan-2-ylpyrazol-3-one?
The IUPAC name of 5-(3-hydroxy-4-methoxyphenyl)-4,4-dimethyl-2-propan-2-ylpyrazol-3-one (CID 71462420) is 5-(3-hydroxy-4-methoxyphenyl)-4,4-dimethyl-2-propan-2-ylpyrazol-3-one.
What is the SMILES notation for 5-(3-hydroxy-4-methoxyphenyl)-4,4-dimethyl-2-propan-2-ylpyrazol-3-one?
The canonical SMILES for 5-(3-hydroxy-4-methoxyphenyl)-4,4-dimethyl-2-propan-2-ylpyrazol-3-one is COc1ccc(C2=NN(C(C)C)C(=O)C2(C)C)cc1O.
What is the InChIKey of 5-(3-hydroxy-4-methoxyphenyl)-4,4-dimethyl-2-propan-2-ylpyrazol-3-one?
The InChIKey is MQZWLOWOSDAWAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-9(2)17-14(19)15(3,4)13(16-17)10-6-7-12(20-5)11(18)8-10/h6-9,18H,1-5H3.
What are the key properties of 5-(3-hydroxy-4-methoxyphenyl)-4,4-dimethyl-2-propan-2-ylpyrazol-3-one?
5-(3-hydroxy-4-methoxyphenyl)-4,4-dimethyl-2-propan-2-ylpyrazol-3-one has a molecular weight of 276.34 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-hydroxy-4-methoxyphenyl)-4,4-dimethyl-2-propan-2-ylpyrazol-3-one is sourced from PubChem (CID 71462420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).