5-tert-butyl-2-(2-methoxyphenyl)-4H-pyrazol-3-one

C14H18N2O2 — CID 63034560

IUPAC5-tert-butyl-2-(2-methoxyphenyl)-4H-pyrazol-3-one
SMILESCOc1ccccc1N1N=C(C(C)(C)C)CC1=O
InChIInChI=1S/C14H18N2O2/c1-14(2,3)12-9-13(17)16(15-12)10-7-5-6-8-11(10)18-4/h5-8H,9H2,1-4H3
InChIKeyNHEHQQYFXLSCQH-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.83
Rot. Bonds2

About 5-tert-butyl-2-(2-methoxyphenyl)-4H-pyrazol-3-one

5-tert-butyl-2-(2-methoxyphenyl)-4H-pyrazol-3-one (PubChem CID 63034560) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 5-tert-butyl-2-(2-methoxyphenyl)-4H-pyrazol-3-one.

Molecular Properties

Compound Name5-tert-butyl-2-(2-methoxyphenyl)-4H-pyrazol-3-one
PubChem CID63034560
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name5-tert-butyl-2-(2-methoxyphenyl)-4H-pyrazol-3-one
SMILESCOc1ccccc1N1N=C(C(C)(C)C)CC1=O
InChIInChI=1S/C14H18N2O2/c1-14(2,3)12-9-13(17)16(15-12)10-7-5-6-8-11(10)18-4/h5-8H,9H2,1-4H3
InChIKeyNHEHQQYFXLSCQH-UHFFFAOYSA-N
XLogP2.83
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-tert-butyl-2-(2-methoxyphenyl)-4H-pyrazol-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

5-tert-butyl-2-(2-chlorophenyl)-4H-pyrazol-3-one
CID 43381500
4-(2-methoxyphenyl)-2-pyridin-2-yl-1,3,4-oxadiazin-5-one
CID 22632748
5-tert-butyl-2-[3-(trifluoromethyl)phenyl]-4H-pyrazol-3-one
CID 43114660
1-(2-methoxyphenyl)-1,3-diazinane-2,4,6-trione
CID 1380841
5-amino-2-(2,5-dimethoxyphenyl)-4H-pyrazol-3-one
CID 82389502
4-(aminomethyl)-2-(2-methoxyphenyl)-5-methyl-4H-pyrazol-3-one
CID 79219836
4-(2-methoxyphenyl)morpholine-2,6-dione
CID 63779029
3-[4-(2-methoxyphenyl)-2,6-dioxopiperazin-1-yl]propanoic acid
CID 82346597
2-[(2-methoxyphenyl)methyl]-5-methyl-4H-pyrazol-3-one
CID 131886198
4-tert-butyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]-1H-pyrimidin-6-one
CID 135644971
4-(2-methoxyphenyl)-1,2,4-triazolidine-3,5-dione
CID 17233930
4-methoxy-1-methyl-3H-indol-2-one
CID 12713031

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-(2-methoxyphenyl)-4H-pyrazol-3-one?
The IUPAC name of 5-tert-butyl-2-(2-methoxyphenyl)-4H-pyrazol-3-one (CID 63034560) is 5-tert-butyl-2-(2-methoxyphenyl)-4H-pyrazol-3-one.
What is the SMILES notation for 5-tert-butyl-2-(2-methoxyphenyl)-4H-pyrazol-3-one?
The canonical SMILES for 5-tert-butyl-2-(2-methoxyphenyl)-4H-pyrazol-3-one is COc1ccccc1N1N=C(C(C)(C)C)CC1=O.
What is the InChIKey of 5-tert-butyl-2-(2-methoxyphenyl)-4H-pyrazol-3-one?
The InChIKey is NHEHQQYFXLSCQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-14(2,3)12-9-13(17)16(15-12)10-7-5-6-8-11(10)18-4/h5-8H,9H2,1-4H3.
What are the key properties of 5-tert-butyl-2-(2-methoxyphenyl)-4H-pyrazol-3-one?
5-tert-butyl-2-(2-methoxyphenyl)-4H-pyrazol-3-one has a molecular weight of 246.31 g/mol, XLogP of 2.83, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-(2-methoxyphenyl)-4H-pyrazol-3-one is sourced from PubChem (CID 63034560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).