3-hydroxy-N-(5-methyl-1-phenylpyrazol-3-yl)-3-phenylbutanamide

C20H21N3O2 — CID 110026421

IUPAC3-hydroxy-N-(5-methyl-1-phenylpyrazol-3-yl)-3-phenylbutanamide
SMILESCc1cc(NC(=O)CC(C)(O)c2ccccc2)nn1-c1ccccc1
InChIInChI=1S/C20H21N3O2/c1-15-13-18(22-23(15)17-11-7-4-8-12-17)21-19(24)14-20(2,25)16-9-5-3-6-10-16/h3-13,25H,14H2,1-2H3,(H,21,22,24)
InChIKeyLYAMPYMQAWUVFO-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.42
Rot. Bonds5

About 3-hydroxy-N-(5-methyl-1-phenylpyrazol-3-yl)-3-phenylbutanamide

3-hydroxy-N-(5-methyl-1-phenylpyrazol-3-yl)-3-phenylbutanamide (PubChem CID 110026421) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 3-hydroxy-N-(5-methyl-1-phenylpyrazol-3-yl)-3-phenylbutanamide.

Molecular Properties

Compound Name3-hydroxy-N-(5-methyl-1-phenylpyrazol-3-yl)-3-phenylbutanamide
PubChem CID110026421
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name3-hydroxy-N-(5-methyl-1-phenylpyrazol-3-yl)-3-phenylbutanamide
SMILESCc1cc(NC(=O)CC(C)(O)c2ccccc2)nn1-c1ccccc1
InChIInChI=1S/C20H21N3O2/c1-15-13-18(22-23(15)17-11-7-4-8-12-17)21-19(24)14-20(2,25)16-9-5-3-6-10-16/h3-13,25H,14H2,1-2H3,(H,21,22,24)
InChIKeyLYAMPYMQAWUVFO-UHFFFAOYSA-N
XLogP3.42
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-tert-butyl-N-(5-methyl-1-phenylpyrazol-3-yl)benzamide
CID 46107065
prop-2-ynyl N-(5-methyl-1-phenylpyrazol-3-yl)carbamate
CID 2726214
N-(5-chloro-2-methylphenyl)-3-hydroxy-3-phenylbutanamide
CID 110024296
N-(2-acetamido-4-chlorophenyl)-3-hydroxy-3-phenylbutanamide
CID 110025284
N-[1-(4-chlorophenyl)-5-methylpyrazol-3-yl]acetamide
CID 57278504
1-(5-methyl-1-phenylpyrazol-3-yl)-3-(2-propan-2-yloxyphenyl)urea
CID 154794214
1-(4-methyloxan-4-yl)-3-(5-methyl-1-phenylpyrazol-3-yl)urea
CID 154737436
1-acetamido-N-(5-methyl-1-phenylpyrazol-3-yl)cyclohexane-1-carboxamide
CID 138998233
N-(4-fluoro-2-methylphenyl)-3-hydroxy-3-phenylbutanamide
CID 110024305
N-(3,5-dichloro-4-hydroxyphenyl)-3-hydroxy-3-phenylbutanamide
CID 110026377
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-hydroxy-3-phenylbutanamide
CID 110024954
2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-(5-methyl-1-phenylpyrazol-3-yl)pentanamide
CID 10251870

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-(5-methyl-1-phenylpyrazol-3-yl)-3-phenylbutanamide?
The IUPAC name of 3-hydroxy-N-(5-methyl-1-phenylpyrazol-3-yl)-3-phenylbutanamide (CID 110026421) is 3-hydroxy-N-(5-methyl-1-phenylpyrazol-3-yl)-3-phenylbutanamide.
What is the SMILES notation for 3-hydroxy-N-(5-methyl-1-phenylpyrazol-3-yl)-3-phenylbutanamide?
The canonical SMILES for 3-hydroxy-N-(5-methyl-1-phenylpyrazol-3-yl)-3-phenylbutanamide is Cc1cc(NC(=O)CC(C)(O)c2ccccc2)nn1-c1ccccc1.
What is the InChIKey of 3-hydroxy-N-(5-methyl-1-phenylpyrazol-3-yl)-3-phenylbutanamide?
The InChIKey is LYAMPYMQAWUVFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-15-13-18(22-23(15)17-11-7-4-8-12-17)21-19(24)14-20(2,25)16-9-5-3-6-10-16/h3-13,25H,14H2,1-2H3,(H,21,22,24).
What are the key properties of 3-hydroxy-N-(5-methyl-1-phenylpyrazol-3-yl)-3-phenylbutanamide?
3-hydroxy-N-(5-methyl-1-phenylpyrazol-3-yl)-3-phenylbutanamide has a molecular weight of 335.41 g/mol, XLogP of 3.42, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-(5-methyl-1-phenylpyrazol-3-yl)-3-phenylbutanamide is sourced from PubChem (CID 110026421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).