2-amino-3-methoxy-N-(3-pyrazol-1-ylphenyl)propanamide

C13H16N4O2 — CID 81083660

IUPAC2-amino-3-methoxy-N-(3-pyrazol-1-ylphenyl)propanamide
SMILESCOCC(N)C(=O)Nc1cccc(-n2cccn2)c1
InChIInChI=1S/C13H16N4O2/c1-19-9-12(14)13(18)16-10-4-2-5-11(8-10)17-7-3-6-15-17/h2-8,12H,9,14H2,1H3,(H,16,18)
InChIKeyUVKKGFBDCJSVBO-UHFFFAOYSA-N
MW260.30 g/mol
LogP0.78
Rot. Bonds5

About 2-amino-3-methoxy-N-(3-pyrazol-1-ylphenyl)propanamide

2-amino-3-methoxy-N-(3-pyrazol-1-ylphenyl)propanamide (PubChem CID 81083660) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 2-amino-3-methoxy-N-(3-pyrazol-1-ylphenyl)propanamide.

Molecular Properties

Compound Name2-amino-3-methoxy-N-(3-pyrazol-1-ylphenyl)propanamide
PubChem CID81083660
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name2-amino-3-methoxy-N-(3-pyrazol-1-ylphenyl)propanamide
SMILESCOCC(N)C(=O)Nc1cccc(-n2cccn2)c1
InChIInChI=1S/C13H16N4O2/c1-19-9-12(14)13(18)16-10-4-2-5-11(8-10)17-7-3-6-15-17/h2-8,12H,9,14H2,1H3,(H,16,18)
InChIKeyUVKKGFBDCJSVBO-UHFFFAOYSA-N
XLogP0.78
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-(3-imidazol-1-ylphenyl)-3-methoxypropanamide
CID 81083217
N-(3-acetamidophenyl)-2-amino-3-methoxypropanamide;hydrochloride
CID 120983461
2-bromo-N-(3-pyrazol-1-ylphenyl)butanamide
CID 62856845
ethyl N-(3-pyrazol-1-ylphenyl)carbamate
CID 61061847
(2R)-2-amino-3-(1H-indol-3-yl)-N-(3-pyrazol-1-ylphenyl)propanamide;hydrochloride
CID 154912640
2-amino-3-methoxy-N-[3-(2-methoxypropanoylamino)phenyl]propanamide;hydrochloride
CID 120987592
(2S)-2-amino-2-cyclohexyl-N-(3-pyrazol-1-ylphenyl)acetamide;hydrochloride
CID 154915070
5-amino-2-methyl-N-(3-pyrazol-1-ylphenyl)pentanamide
CID 104683774
methyl 2-(3-pyrazol-1-ylanilino)propanoate
CID 66174331
2-amino-N-(5-chloro-2-pyrazol-1-ylphenyl)-3-methoxypropanamide
CID 81082949
2-amino-3-methoxy-N-[3-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 81088851
3-[(2-amino-3-methoxypropanoyl)amino]benzoic acid
CID 81088494

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methoxy-N-(3-pyrazol-1-ylphenyl)propanamide?
The IUPAC name of 2-amino-3-methoxy-N-(3-pyrazol-1-ylphenyl)propanamide (CID 81083660) is 2-amino-3-methoxy-N-(3-pyrazol-1-ylphenyl)propanamide.
What is the SMILES notation for 2-amino-3-methoxy-N-(3-pyrazol-1-ylphenyl)propanamide?
The canonical SMILES for 2-amino-3-methoxy-N-(3-pyrazol-1-ylphenyl)propanamide is COCC(N)C(=O)Nc1cccc(-n2cccn2)c1.
What is the InChIKey of 2-amino-3-methoxy-N-(3-pyrazol-1-ylphenyl)propanamide?
The InChIKey is UVKKGFBDCJSVBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-19-9-12(14)13(18)16-10-4-2-5-11(8-10)17-7-3-6-15-17/h2-8,12H,9,14H2,1H3,(H,16,18).
What are the key properties of 2-amino-3-methoxy-N-(3-pyrazol-1-ylphenyl)propanamide?
2-amino-3-methoxy-N-(3-pyrazol-1-ylphenyl)propanamide has a molecular weight of 260.30 g/mol, XLogP of 0.78, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methoxy-N-(3-pyrazol-1-ylphenyl)propanamide is sourced from PubChem (CID 81083660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).