3-(3,5-dimethylpyrazol-1-yl)-N-(2-hydroxyphenyl)propanamide

C14H17N3O2 — CID 19553824

IUPAC3-(3,5-dimethylpyrazol-1-yl)-N-(2-hydroxyphenyl)propanamide
SMILESCc1cc(C)n(CCC(=O)Nc2ccccc2O)n1
InChIInChI=1S/C14H17N3O2/c1-10-9-11(2)17(16-10)8-7-14(19)15-12-5-3-4-6-13(12)18/h3-6,9,18H,7-8H2,1-2H3,(H,15,19)
InChIKeyRSUVMMZKLVDNBK-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.23
Rot. Bonds4

About 3-(3,5-dimethylpyrazol-1-yl)-N-(2-hydroxyphenyl)propanamide

3-(3,5-dimethylpyrazol-1-yl)-N-(2-hydroxyphenyl)propanamide (PubChem CID 19553824) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 3-(3,5-dimethylpyrazol-1-yl)-N-(2-hydroxyphenyl)propanamide.

Molecular Properties

Compound Name3-(3,5-dimethylpyrazol-1-yl)-N-(2-hydroxyphenyl)propanamide
PubChem CID19553824
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name3-(3,5-dimethylpyrazol-1-yl)-N-(2-hydroxyphenyl)propanamide
SMILESCc1cc(C)n(CCC(=O)Nc2ccccc2O)n1
InChIInChI=1S/C14H17N3O2/c1-10-9-11(2)17(16-10)8-7-14(19)15-12-5-3-4-6-13(12)18/h3-6,9,18H,7-8H2,1-2H3,(H,15,19)
InChIKeyRSUVMMZKLVDNBK-UHFFFAOYSA-N
XLogP2.23
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2,6-dimethylphenyl)-3-(3,5-dimethylpyrazol-1-yl)propanamide
CID 19553862
N'-[3-(3,5-dimethylpyrazol-1-yl)propanoyl]-2-hydroxybenzohydrazide
CID 30124446
N-(5-amino-2-methylphenyl)-3-(3,5-dimethylpyrazol-1-yl)propanamide
CID 16786199
N-(1,5-dimethylpyrazol-4-yl)-3-(3,5-dimethylpyrazol-1-yl)propanamide
CID 19557477
4-(3,5-dimethylpyrazol-1-yl)-N-phenylbutanamide
CID 39730494
3-(3,5-dimethylpyrazol-1-yl)-N-pyridin-3-ylpropanamide
CID 15943466
N-(4-chloro-2-pyrrol-1-ylphenyl)-3-(3,5-dimethylpyrazol-1-yl)propanamide
CID 56582587
N-[4-(diethylamino)phenyl]-3-(3,5-dimethylpyrazol-1-yl)propanamide
CID 19553830
3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-hydroxyphenyl)propanamide
CID 19550123
2-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]benzamide
CID 110690082
N-(4-amino-2,6-dichlorophenyl)-3-(3,5-dimethylpyrazol-1-yl)propanamide
CID 28540908
3-(3,5-dimethylpyrazol-1-yl)-N-(2-hydroxy-1-phenylethyl)propanamide
CID 63184682

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)-N-(2-hydroxyphenyl)propanamide?
The IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)-N-(2-hydroxyphenyl)propanamide (CID 19553824) is 3-(3,5-dimethylpyrazol-1-yl)-N-(2-hydroxyphenyl)propanamide.
What is the SMILES notation for 3-(3,5-dimethylpyrazol-1-yl)-N-(2-hydroxyphenyl)propanamide?
The canonical SMILES for 3-(3,5-dimethylpyrazol-1-yl)-N-(2-hydroxyphenyl)propanamide is Cc1cc(C)n(CCC(=O)Nc2ccccc2O)n1.
What is the InChIKey of 3-(3,5-dimethylpyrazol-1-yl)-N-(2-hydroxyphenyl)propanamide?
The InChIKey is RSUVMMZKLVDNBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-10-9-11(2)17(16-10)8-7-14(19)15-12-5-3-4-6-13(12)18/h3-6,9,18H,7-8H2,1-2H3,(H,15,19).
What are the key properties of 3-(3,5-dimethylpyrazol-1-yl)-N-(2-hydroxyphenyl)propanamide?
3-(3,5-dimethylpyrazol-1-yl)-N-(2-hydroxyphenyl)propanamide has a molecular weight of 259.31 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylpyrazol-1-yl)-N-(2-hydroxyphenyl)propanamide is sourced from PubChem (CID 19553824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).