3-(3,4-dihydroxyphenyl)-2-methyl-N-(5-methyl-1H-pyrazol-4-yl)propanamide

C14H17N3O3 — CID 112521695

IUPAC3-(3,4-dihydroxyphenyl)-2-methyl-N-(5-methyl-1H-pyrazol-4-yl)propanamide
SMILESCc1[nH]ncc1NC(=O)C(C)Cc1ccc(O)c(O)c1
InChIInChI=1S/C14H17N3O3/c1-8(5-10-3-4-12(18)13(19)6-10)14(20)16-11-7-15-17-9(11)2/h3-4,6-8,18-19H,5H2,1-2H3,(H,15,17)(H,16,20)
InChIKeyFZMTVXJSUJFHSW-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.95
Rot. Bonds4

About 3-(3,4-dihydroxyphenyl)-2-methyl-N-(5-methyl-1H-pyrazol-4-yl)propanamide

3-(3,4-dihydroxyphenyl)-2-methyl-N-(5-methyl-1H-pyrazol-4-yl)propanamide (PubChem CID 112521695) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 3-(3,4-dihydroxyphenyl)-2-methyl-N-(5-methyl-1H-pyrazol-4-yl)propanamide.

Molecular Properties

Compound Name3-(3,4-dihydroxyphenyl)-2-methyl-N-(5-methyl-1H-pyrazol-4-yl)propanamide
PubChem CID112521695
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name3-(3,4-dihydroxyphenyl)-2-methyl-N-(5-methyl-1H-pyrazol-4-yl)propanamide
SMILESCc1[nH]ncc1NC(=O)C(C)Cc1ccc(O)c(O)c1
InChIInChI=1S/C14H17N3O3/c1-8(5-10-3-4-12(18)13(19)6-10)14(20)16-11-7-15-17-9(11)2/h3-4,6-8,18-19H,5H2,1-2H3,(H,15,17)(H,16,20)
InChIKeyFZMTVXJSUJFHSW-UHFFFAOYSA-N
XLogP1.95
TPSA98.24 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

3-(3,4-dihydroxyphenyl)-N-(4-hydroxy-2-methylphenyl)-2-methylpropanamide
CID 84578793
(2S)-2-amino-3-(3,4-dihydroxyphenyl)-N-(4-methyl-1H-pyrazol-5-yl)propanamide
CID 104618999
2-methyl-N-(5-methyl-1H-pyrazol-4-yl)propanamide
CID 130719724
(2S)-2-amino-N-(5-methyl-1H-pyrazol-4-yl)-3-phenylpropanamide
CID 110837650
3-(3,4-dihydroxyphenyl)-N-(3,4-dimethylphenyl)-2-methylpropanamide
CID 84578297
(2S)-2-amino-3-(3,4-dihydroxyphenyl)-N-(4-ethyl-1H-pyrazol-5-yl)propanamide
CID 104619226
3-(3,4-dihydroxyphenyl)-2-methyl-N-quinolin-8-ylpropanamide
CID 84578370
3-(3,4-dihydroxyphenyl)-2-methyl-N-(4-sulfamoylphenyl)propanamide
CID 84578792
4-(3,4-dihydroxyphenyl)-3-methylbutan-2-one
CID 77410272
(2S)-3-(3,4-dihydroxyphenyl)-2-(propan-2-ylamino)propanoic acid
CID 138712858
3-(3,4-dihydroxyphenyl)-2-(2-methylpropanoylamino)propanoic acid
CID 61069314
N-(1,3-benzothiazol-6-yl)-3-(3,4-dihydroxyphenyl)-2-methylpropanamide
CID 112525772

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydroxyphenyl)-2-methyl-N-(5-methyl-1H-pyrazol-4-yl)propanamide?
The IUPAC name of 3-(3,4-dihydroxyphenyl)-2-methyl-N-(5-methyl-1H-pyrazol-4-yl)propanamide (CID 112521695) is 3-(3,4-dihydroxyphenyl)-2-methyl-N-(5-methyl-1H-pyrazol-4-yl)propanamide.
What is the SMILES notation for 3-(3,4-dihydroxyphenyl)-2-methyl-N-(5-methyl-1H-pyrazol-4-yl)propanamide?
The canonical SMILES for 3-(3,4-dihydroxyphenyl)-2-methyl-N-(5-methyl-1H-pyrazol-4-yl)propanamide is Cc1[nH]ncc1NC(=O)C(C)Cc1ccc(O)c(O)c1.
What is the InChIKey of 3-(3,4-dihydroxyphenyl)-2-methyl-N-(5-methyl-1H-pyrazol-4-yl)propanamide?
The InChIKey is FZMTVXJSUJFHSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-8(5-10-3-4-12(18)13(19)6-10)14(20)16-11-7-15-17-9(11)2/h3-4,6-8,18-19H,5H2,1-2H3,(H,15,17)(H,16,20).
What are the key properties of 3-(3,4-dihydroxyphenyl)-2-methyl-N-(5-methyl-1H-pyrazol-4-yl)propanamide?
3-(3,4-dihydroxyphenyl)-2-methyl-N-(5-methyl-1H-pyrazol-4-yl)propanamide has a molecular weight of 275.31 g/mol, XLogP of 1.95, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dihydroxyphenyl)-2-methyl-N-(5-methyl-1H-pyrazol-4-yl)propanamide is sourced from PubChem (CID 112521695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).