3-(4-acetamidopyrazol-1-yl)-N-(4-cyano-3-methylphenyl)-2-hydroxy-2-methylpropanamide

C17H19N5O3 — CID 155141342

IUPAC3-(4-acetamidopyrazol-1-yl)-N-(4-cyano-3-methylphenyl)-2-hydroxy-2-methylpropanamide
SMILESCC(=O)Nc1cnn(CC(C)(O)C(=O)Nc2ccc(C#N)c(C)c2)c1
InChIInChI=1S/C17H19N5O3/c1-11-6-14(5-4-13(11)7-18)21-16(24)17(3,25)10-22-9-15(8-19-22)20-12(2)23/h4-6,8-9,25H,10H2,1-3H3,(H,20,23)(H,21,24)
InChIKeyDUOUEWOLWXVKAY-UHFFFAOYSA-N
MW341.37 g/mol
LogP1.41
Rot. Bonds5

About 3-(4-acetamidopyrazol-1-yl)-N-(4-cyano-3-methylphenyl)-2-hydroxy-2-methylpropanamide

3-(4-acetamidopyrazol-1-yl)-N-(4-cyano-3-methylphenyl)-2-hydroxy-2-methylpropanamide (PubChem CID 155141342) has the molecular formula C17H19N5O3 and a molecular weight of 341.37 g/mol. Its IUPAC name is 3-(4-acetamidopyrazol-1-yl)-N-(4-cyano-3-methylphenyl)-2-hydroxy-2-methylpropanamide.

Molecular Properties

Compound Name3-(4-acetamidopyrazol-1-yl)-N-(4-cyano-3-methylphenyl)-2-hydroxy-2-methylpropanamide
PubChem CID155141342
Molecular FormulaC17H19N5O3
Molecular Weight341.37 g/mol
Exact Mass341.15
IUPAC Name3-(4-acetamidopyrazol-1-yl)-N-(4-cyano-3-methylphenyl)-2-hydroxy-2-methylpropanamide
SMILESCC(=O)Nc1cnn(CC(C)(O)C(=O)Nc2ccc(C#N)c(C)c2)c1
InChIInChI=1S/C17H19N5O3/c1-11-6-14(5-4-13(11)7-18)21-16(24)17(3,25)10-22-9-15(8-19-22)20-12(2)23/h4-6,8-9,25H,10H2,1-3H3,(H,20,23)(H,21,24)
InChIKeyDUOUEWOLWXVKAY-UHFFFAOYSA-N
XLogP1.41
TPSA120.04 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

methyl N-[1-[(2S)-3-(4-cyano-3-methylanilino)-2-hydroxy-2-methyl-3-oxopropyl]pyrazol-4-yl]carbamate
CID 155141245
3-(4-bromopyrazol-1-yl)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methylpropanamide
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(2S)-N-(4-cyano-3-methylphenyl)-3-[3-(4-fluorophenyl)pyrrol-1-yl]-2-hydroxy-2-methylpropanamide
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(2S)-3-(benzotriazol-1-yl)-N-(4-cyano-3-methylphenyl)-2-hydroxy-2-methylpropanamide;1,1,1-trifluoroethane
CID 157246089
(2S)-N-(4-cyano-3-methylphenyl)-2-hydroxy-2-methyl-3-[5-(trifluoromethyl)benzotriazol-1-yl]propanamide
CID 159195291
N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-[(4-methylpyrazol-1-yl)methyl]but-3-ynamide
CID 166780003
3-(4-cyanopyrazol-1-yl)-N-(2-cyanopyrimidin-5-yl)-2-hydroxy-2-methylpropanamide
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N-(4-cyano-3-methylphenyl)-3-(4-fluorophenyl)sulfanyl-2-hydroxy-2-methylpropanamide
CID 59645509
(2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methyl-3-[7-(trifluoromethyl)indazol-2-yl]propanamide
CID 126537651
(2S)-N-(4-cyano-3-methylphenyl)-2-hydroxy-2-methyl-3-(4-methylphenoxy)propanamide;(2S)-2-hydroxy-2-methyl-N-(3-methyl-4-nitrophenyl)-3-(4-methylphenoxy)propanamide
CID 161391813
N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methyl-3-[4-(trifluoromethyl)indazol-1-yl]propanamide
CID 126506111
N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(3,5-dimethylindol-1-yl)-2-hydroxy-2-methylpropanamide
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Frequently Asked Questions

What is the IUPAC name of 3-(4-acetamidopyrazol-1-yl)-N-(4-cyano-3-methylphenyl)-2-hydroxy-2-methylpropanamide?
The IUPAC name of 3-(4-acetamidopyrazol-1-yl)-N-(4-cyano-3-methylphenyl)-2-hydroxy-2-methylpropanamide (CID 155141342) is 3-(4-acetamidopyrazol-1-yl)-N-(4-cyano-3-methylphenyl)-2-hydroxy-2-methylpropanamide.
What is the SMILES notation for 3-(4-acetamidopyrazol-1-yl)-N-(4-cyano-3-methylphenyl)-2-hydroxy-2-methylpropanamide?
The canonical SMILES for 3-(4-acetamidopyrazol-1-yl)-N-(4-cyano-3-methylphenyl)-2-hydroxy-2-methylpropanamide is CC(=O)Nc1cnn(CC(C)(O)C(=O)Nc2ccc(C#N)c(C)c2)c1.
What is the InChIKey of 3-(4-acetamidopyrazol-1-yl)-N-(4-cyano-3-methylphenyl)-2-hydroxy-2-methylpropanamide?
The InChIKey is DUOUEWOLWXVKAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O3/c1-11-6-14(5-4-13(11)7-18)21-16(24)17(3,25)10-22-9-15(8-19-22)20-12(2)23/h4-6,8-9,25H,10H2,1-3H3,(H,20,23)(H,21,24).
What are the key properties of 3-(4-acetamidopyrazol-1-yl)-N-(4-cyano-3-methylphenyl)-2-hydroxy-2-methylpropanamide?
3-(4-acetamidopyrazol-1-yl)-N-(4-cyano-3-methylphenyl)-2-hydroxy-2-methylpropanamide has a molecular weight of 341.37 g/mol, XLogP of 1.41, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-acetamidopyrazol-1-yl)-N-(4-cyano-3-methylphenyl)-2-hydroxy-2-methylpropanamide is sourced from PubChem (CID 155141342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).