N-(4-hydroxy-2,5-dimethylphenyl)-2-pyrazol-1-ylpropanamide

C14H17N3O2 — CID 106834635

IUPACN-(4-hydroxy-2,5-dimethylphenyl)-2-pyrazol-1-ylpropanamide
SMILESCc1cc(NC(=O)C(C)n2cccn2)c(C)cc1O
InChIInChI=1S/C14H17N3O2/c1-9-8-13(18)10(2)7-12(9)16-14(19)11(3)17-6-4-5-15-17/h4-8,11,18H,1-3H3,(H,16,19)
InChIKeyWWBAEESAWKZBQT-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.41
Rot. Bonds3

About N-(4-hydroxy-2,5-dimethylphenyl)-2-pyrazol-1-ylpropanamide

N-(4-hydroxy-2,5-dimethylphenyl)-2-pyrazol-1-ylpropanamide (PubChem CID 106834635) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is N-(4-hydroxy-2,5-dimethylphenyl)-2-pyrazol-1-ylpropanamide.

Molecular Properties

Compound NameN-(4-hydroxy-2,5-dimethylphenyl)-2-pyrazol-1-ylpropanamide
PubChem CID106834635
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC NameN-(4-hydroxy-2,5-dimethylphenyl)-2-pyrazol-1-ylpropanamide
SMILESCc1cc(NC(=O)C(C)n2cccn2)c(C)cc1O
InChIInChI=1S/C14H17N3O2/c1-9-8-13(18)10(2)7-12(9)16-14(19)11(3)17-6-4-5-15-17/h4-8,11,18H,1-3H3,(H,16,19)
InChIKeyWWBAEESAWKZBQT-UHFFFAOYSA-N
XLogP2.41
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

N-(6-chloro-4-methyl-3-pyridinyl)-2-pyrazol-1-ylpropanamide
CID 113262980
4-methyl-3-(2-pyrazol-1-ylpropanoylamino)benzoic acid
CID 43211107
(2R)-N-[2,4-difluoro-5-[[(2S)-2-pyrazol-1-ylpropanoyl]amino]phenyl]-2-pyrazol-1-ylpropanamide
CID 97320876
methyl 4-methyl-3-(2-pyrazol-1-ylpropanoylamino)benzoate
CID 42887736
N-(4-chloro-2-methoxy-5-methylphenyl)-2-pyrazol-1-ylpropanamide
CID 42884870
N-(2,6-dimethylphenyl)-2-pyrazol-1-ylpropanamide
CID 47156281
N-(4-bromo-3,5-dimethylphenyl)-2-pyrazol-1-ylpropanamide
CID 106491100
N-(2-tert-butylphenyl)-2-pyrazol-1-ylpropanamide
CID 47156271
N-(2-methoxy-5-methylphenyl)-2-pyrazol-1-ylpropanamide
CID 42949038
N-(4-methylphenyl)-2-pyrazol-1-ylpropanamide
CID 134060372
N-phenyl-2-pyrazol-1-ylpropanamide
CID 42949018
N-(2-cyanophenyl)-2-pyrazol-1-ylpropanamide
CID 43187533

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-2,5-dimethylphenyl)-2-pyrazol-1-ylpropanamide?
The IUPAC name of N-(4-hydroxy-2,5-dimethylphenyl)-2-pyrazol-1-ylpropanamide (CID 106834635) is N-(4-hydroxy-2,5-dimethylphenyl)-2-pyrazol-1-ylpropanamide.
What is the SMILES notation for N-(4-hydroxy-2,5-dimethylphenyl)-2-pyrazol-1-ylpropanamide?
The canonical SMILES for N-(4-hydroxy-2,5-dimethylphenyl)-2-pyrazol-1-ylpropanamide is Cc1cc(NC(=O)C(C)n2cccn2)c(C)cc1O.
What is the InChIKey of N-(4-hydroxy-2,5-dimethylphenyl)-2-pyrazol-1-ylpropanamide?
The InChIKey is WWBAEESAWKZBQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-9-8-13(18)10(2)7-12(9)16-14(19)11(3)17-6-4-5-15-17/h4-8,11,18H,1-3H3,(H,16,19).
What are the key properties of N-(4-hydroxy-2,5-dimethylphenyl)-2-pyrazol-1-ylpropanamide?
N-(4-hydroxy-2,5-dimethylphenyl)-2-pyrazol-1-ylpropanamide has a molecular weight of 259.31 g/mol, XLogP of 2.41, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-2,5-dimethylphenyl)-2-pyrazol-1-ylpropanamide is sourced from PubChem (CID 106834635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).