2-amino-N-(2-ethyl-4-hydroxyphenyl)-3-(1H-pyrazol-5-yl)propanamide

C14H18N4O2 — CID 167930349

IUPAC2-amino-N-(2-ethyl-4-hydroxyphenyl)-3-(1H-pyrazol-5-yl)propanamide
SMILESCCc1cc(O)ccc1NC(=O)C(N)Cc1ccn[nH]1
InChIInChI=1S/C14H18N4O2/c1-2-9-7-11(19)3-4-13(9)17-14(20)12(15)8-10-5-6-16-18-10/h3-7,12,19H,2,8,15H2,1H3,(H,16,18)(H,17,20)
InChIKeyKNCNTMIDGWSPBW-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.19
Rot. Bonds5

About 2-amino-N-(2-ethyl-4-hydroxyphenyl)-3-(1H-pyrazol-5-yl)propanamide

2-amino-N-(2-ethyl-4-hydroxyphenyl)-3-(1H-pyrazol-5-yl)propanamide (PubChem CID 167930349) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-amino-N-(2-ethyl-4-hydroxyphenyl)-3-(1H-pyrazol-5-yl)propanamide.

Molecular Properties

Compound Name2-amino-N-(2-ethyl-4-hydroxyphenyl)-3-(1H-pyrazol-5-yl)propanamide
PubChem CID167930349
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name2-amino-N-(2-ethyl-4-hydroxyphenyl)-3-(1H-pyrazol-5-yl)propanamide
SMILESCCc1cc(O)ccc1NC(=O)C(N)Cc1ccn[nH]1
InChIInChI=1S/C14H18N4O2/c1-2-9-7-11(19)3-4-13(9)17-14(20)12(15)8-10-5-6-16-18-10/h3-7,12,19H,2,8,15H2,1H3,(H,16,18)(H,17,20)
InChIKeyKNCNTMIDGWSPBW-UHFFFAOYSA-N
XLogP1.19
TPSA104.03 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-3-(1H-pyrazol-5-yl)propanamide
CID 155964845
methyl (2S)-2-amino-3-(1H-pyrazol-5-yl)propanoate;dihydrochloride
CID 70074311
ethyl (2S)-2-amino-3-(1H-pyrazol-5-yl)propanoate
CID 94905304
(2S)-2-amino-N-(2-ethylphenyl)-3-(4-hydroxyphenyl)propanamide
CID 61149131
(2S)-2-amino-N-(5-ethyl-1H-pyrazol-3-yl)-3-(4-hydroxyphenyl)propanamide
CID 104618065
(2S)-2-amino-N-(4-bromo-2-ethylphenyl)butanamide;hydrochloride
CID 119291319
(2S)-2-amino-N-(4-hydroxy-2-methylphenyl)-3-phenylpropanamide
CID 78995809
N-(2-ethyl-4-hydroxyphenyl)butanamide
CID 143294453
(2S)-2-amino-3-(3,4-dihydroxyphenyl)-N-(4-ethyl-1H-pyrazol-5-yl)propanamide
CID 104619226
2-amino-3-phenyl-N-(1H-pyrazol-5-ylmethyl)propanamide
CID 61285504
tert-butyl N-(2-ethyl-4-hydroxyphenyl)carbamate
CID 143575571
2-amino-N-(4-ethyl-1H-pyrazol-5-yl)-3-phenylpropanamide
CID 104619330

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-ethyl-4-hydroxyphenyl)-3-(1H-pyrazol-5-yl)propanamide?
The IUPAC name of 2-amino-N-(2-ethyl-4-hydroxyphenyl)-3-(1H-pyrazol-5-yl)propanamide (CID 167930349) is 2-amino-N-(2-ethyl-4-hydroxyphenyl)-3-(1H-pyrazol-5-yl)propanamide.
What is the SMILES notation for 2-amino-N-(2-ethyl-4-hydroxyphenyl)-3-(1H-pyrazol-5-yl)propanamide?
The canonical SMILES for 2-amino-N-(2-ethyl-4-hydroxyphenyl)-3-(1H-pyrazol-5-yl)propanamide is CCc1cc(O)ccc1NC(=O)C(N)Cc1ccn[nH]1.
What is the InChIKey of 2-amino-N-(2-ethyl-4-hydroxyphenyl)-3-(1H-pyrazol-5-yl)propanamide?
The InChIKey is KNCNTMIDGWSPBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-2-9-7-11(19)3-4-13(9)17-14(20)12(15)8-10-5-6-16-18-10/h3-7,12,19H,2,8,15H2,1H3,(H,16,18)(H,17,20).
What are the key properties of 2-amino-N-(2-ethyl-4-hydroxyphenyl)-3-(1H-pyrazol-5-yl)propanamide?
2-amino-N-(2-ethyl-4-hydroxyphenyl)-3-(1H-pyrazol-5-yl)propanamide has a molecular weight of 274.32 g/mol, XLogP of 1.19, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-ethyl-4-hydroxyphenyl)-3-(1H-pyrazol-5-yl)propanamide is sourced from PubChem (CID 167930349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).