2-cycloheptyl-5-(3-hydroxy-4-methoxyphenyl)-4,4-dimethylpyrazol-3-one

C19H26N2O3 — CID 71455239

IUPAC2-cycloheptyl-5-(3-hydroxy-4-methoxyphenyl)-4,4-dimethylpyrazol-3-one
SMILESCOc1ccc(C2=NN(C3CCCCCC3)C(=O)C2(C)C)cc1O
InChIInChI=1S/C19H26N2O3/c1-19(2)17(13-10-11-16(24-3)15(22)12-13)20-21(18(19)23)14-8-6-4-5-7-9-14/h10-12,14,22H,4-9H2,1-3H3
InChIKeyJRBDWAUEDAHWAN-UHFFFAOYSA-N
MW330.43 g/mol
LogP3.70
Rot. Bonds3

About 2-cycloheptyl-5-(3-hydroxy-4-methoxyphenyl)-4,4-dimethylpyrazol-3-one

2-cycloheptyl-5-(3-hydroxy-4-methoxyphenyl)-4,4-dimethylpyrazol-3-one (PubChem CID 71455239) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is 2-cycloheptyl-5-(3-hydroxy-4-methoxyphenyl)-4,4-dimethylpyrazol-3-one.

Molecular Properties

Compound Name2-cycloheptyl-5-(3-hydroxy-4-methoxyphenyl)-4,4-dimethylpyrazol-3-one
PubChem CID71455239
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC Name2-cycloheptyl-5-(3-hydroxy-4-methoxyphenyl)-4,4-dimethylpyrazol-3-one
SMILESCOc1ccc(C2=NN(C3CCCCCC3)C(=O)C2(C)C)cc1O
InChIInChI=1S/C19H26N2O3/c1-19(2)17(13-10-11-16(24-3)15(22)12-13)20-21(18(19)23)14-8-6-4-5-7-9-14/h10-12,14,22H,4-9H2,1-3H3
InChIKeyJRBDWAUEDAHWAN-UHFFFAOYSA-N
XLogP3.70
TPSA62.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-cycloheptyl-5-(3-hydroxy-4-methoxyphenyl)-4,4-dimethylpyrazol-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Cycloheptyl-4-(3,4-dimethoxyphenyl)-4a,5,8,8a-tetrahydrophthalazin-1-one
CID 10068486
2-Cyclooctyl-4-(3,4-dimethoxyphenyl)-4a,5,8,8a-tetrahydrophthalazin-1-one
CID 11058378
2-Cyclohexyl-4-(3,4-dimethoxyphenyl)-4a,5,8,8a-tetrahydrophthalazin-1-one
CID 11089927
2-Cycloheptyl-4-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-4a,5,8,8a-tetrahydrophthalazin-1-one
CID 11122701
2-Cyclopentyl-4-(3,4-dimethoxyphenyl)-4a,5,8,8a-tetrahydrophthalazin-1-one
CID 11824398
(4aS,8aR)-2-cycloheptyl-4-(3,4-dimethoxyphenyl)-4a,5,8,8a-tetrahydrophthalazin-1-one
CID 24841825
1-(3-(3,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl)ethanone
CID 11673215
2-Cycloheptyl-5-[4-methoxy-3-[2-(4-methoxyphenyl)ethoxy]phenyl]-4,4-dimethyl-pyrazol-3-one
CID 71449884
2-Cycloheptyl-5-(3-cyclopentyloxy-4-methoxyphenyl)-4,4-dimethylpyrazol-3-one
CID 71460717
6-(3,4-Dimethoxyphenyl)-2-(5-phenylpentyl)-4,5-dihydropyridazin-3-one
CID 11440401
2-Cycloheptyl-4-(3-hydroxy-4-methoxyphenyl)-4a,5,8,8a-tetrahydrophthalazin-1-one
CID 9799418
2-Cycloheptyl-4-(3-cyclopentyloxy-4-methoxyphenyl)-4a,5,8,8a-tetrahydrophthalazin-1-one
CID 9867688

Frequently Asked Questions

What is the IUPAC name of 2-cycloheptyl-5-(3-hydroxy-4-methoxyphenyl)-4,4-dimethylpyrazol-3-one?
The IUPAC name of 2-cycloheptyl-5-(3-hydroxy-4-methoxyphenyl)-4,4-dimethylpyrazol-3-one (CID 71455239) is 2-cycloheptyl-5-(3-hydroxy-4-methoxyphenyl)-4,4-dimethylpyrazol-3-one.
What is the SMILES notation for 2-cycloheptyl-5-(3-hydroxy-4-methoxyphenyl)-4,4-dimethylpyrazol-3-one?
The canonical SMILES for 2-cycloheptyl-5-(3-hydroxy-4-methoxyphenyl)-4,4-dimethylpyrazol-3-one is COc1ccc(C2=NN(C3CCCCCC3)C(=O)C2(C)C)cc1O.
What is the InChIKey of 2-cycloheptyl-5-(3-hydroxy-4-methoxyphenyl)-4,4-dimethylpyrazol-3-one?
The InChIKey is JRBDWAUEDAHWAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3/c1-19(2)17(13-10-11-16(24-3)15(22)12-13)20-21(18(19)23)14-8-6-4-5-7-9-14/h10-12,14,22H,4-9H2,1-3H3.
What are the key properties of 2-cycloheptyl-5-(3-hydroxy-4-methoxyphenyl)-4,4-dimethylpyrazol-3-one?
2-cycloheptyl-5-(3-hydroxy-4-methoxyphenyl)-4,4-dimethylpyrazol-3-one has a molecular weight of 330.43 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cycloheptyl-5-(3-hydroxy-4-methoxyphenyl)-4,4-dimethylpyrazol-3-one is sourced from PubChem (CID 71455239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).