N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-2-hydroxy-2-(4-methoxyphenyl)acetamide

C23H27N3O3 — CID 67091609

IUPACN-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-2-hydroxy-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(C(O)C(=O)Nc2cc(C(C)(C)C)nn2-c2ccc(C)cc2)cc1
InChIInChI=1S/C23H27N3O3/c1-15-6-10-17(11-7-15)26-20(14-19(25-26)23(2,3)4)24-22(28)21(27)16-8-12-18(29-5)13-9-16/h6-14,21,27H,1-5H3,(H,24,28)
InChIKeyGHXUBABDVIIOBH-UHFFFAOYSA-N
MW393.49 g/mol
LogP4.16
Rot. Bonds5

About N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-2-hydroxy-2-(4-methoxyphenyl)acetamide

N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-2-hydroxy-2-(4-methoxyphenyl)acetamide (PubChem CID 67091609) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-2-hydroxy-2-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-2-hydroxy-2-(4-methoxyphenyl)acetamide
PubChem CID67091609
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC NameN-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-2-hydroxy-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(C(O)C(=O)Nc2cc(C(C)(C)C)nn2-c2ccc(C)cc2)cc1
InChIInChI=1S/C23H27N3O3/c1-15-6-10-17(11-7-15)26-20(14-19(25-26)23(2,3)4)24-22(28)21(27)16-8-12-18(29-5)13-9-16/h6-14,21,27H,1-5H3,(H,24,28)
InChIKeyGHXUBABDVIIOBH-UHFFFAOYSA-N
XLogP4.16
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-2-hydroxy-2-(4-methoxyphenyl)acetamide 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

(4-methylphenyl) N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamate
CID 67091124
N-[3-tert-butyl-1-(4-methoxyphenyl)pyrazol-5-yl]pentanamide
CID 46114373
N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-2-methoxyacetamide
CID 42732681
1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-(4-methylpent-2-en-3-yl)urea
CID 91309352
N-[3-tert-butyl-1-(4-nitrophenyl)pyrazol-5-yl]-4-methoxybenzamide
CID 1062095
N-[2-[[3-tert-butyl-1-(4-methoxyphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-4-methoxy-N-propan-2-ylbenzamide
CID 42740757
N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-2-(4-chlorophenoxy)acetamide
CID 42732663
N-[3-tert-butyl-1-(4-methoxyphenyl)pyrazol-5-yl]-2-[(3,4-dimethylphenyl)carbamoyl-methylamino]acetamide
CID 1067272
2-bromo-N-[1-(4-bromophenyl)-3-tert-butylpyrazol-5-yl]-5-methoxybenzamide
CID 46088061
4-methoxy-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]benzamide
CID 2352142
3-amino-N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]propanamide
CID 119293994
1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[2-[[1-[2-(4-methoxyphenyl)acetyl]piperidin-4-yl]methyl]phenyl]urea
CID 68822994

Frequently Asked Questions

What is the IUPAC name of N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-2-hydroxy-2-(4-methoxyphenyl)acetamide?
The IUPAC name of N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-2-hydroxy-2-(4-methoxyphenyl)acetamide (CID 67091609) is N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-2-hydroxy-2-(4-methoxyphenyl)acetamide.
What is the SMILES notation for N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-2-hydroxy-2-(4-methoxyphenyl)acetamide?
The canonical SMILES for N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-2-hydroxy-2-(4-methoxyphenyl)acetamide is COc1ccc(C(O)C(=O)Nc2cc(C(C)(C)C)nn2-c2ccc(C)cc2)cc1.
What is the InChIKey of N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-2-hydroxy-2-(4-methoxyphenyl)acetamide?
The InChIKey is GHXUBABDVIIOBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3/c1-15-6-10-17(11-7-15)26-20(14-19(25-26)23(2,3)4)24-22(28)21(27)16-8-12-18(29-5)13-9-16/h6-14,21,27H,1-5H3,(H,24,28).
What are the key properties of N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-2-hydroxy-2-(4-methoxyphenyl)acetamide?
N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-2-hydroxy-2-(4-methoxyphenyl)acetamide has a molecular weight of 393.49 g/mol, XLogP of 4.16, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-2-hydroxy-2-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 67091609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).