(2R)-2-amino-3-(4-hydroxyphenyl)-N-(2-methylpyrazol-3-yl)propanamide

C13H16N4O2 — CID 104905050

IUPAC(2R)-2-amino-3-(4-hydroxyphenyl)-N-(2-methylpyrazol-3-yl)propanamide
SMILESCn1nccc1NC(=O)[C@H](N)Cc1ccc(O)cc1
InChIInChI=1S/C13H16N4O2/c1-17-12(6-7-15-17)16-13(19)11(14)8-9-2-4-10(18)5-3-9/h2-7,11,18H,8,14H2,1H3,(H,16,19)/t11-/m1/s1
InChIKeyRBUZYIUHSFBAFR-LLVKDONJSA-N
MW260.30 g/mol
LogP0.63
Rot. Bonds4

About (2R)-2-amino-3-(4-hydroxyphenyl)-N-(2-methylpyrazol-3-yl)propanamide

(2R)-2-amino-3-(4-hydroxyphenyl)-N-(2-methylpyrazol-3-yl)propanamide (PubChem CID 104905050) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is (2R)-2-amino-3-(4-hydroxyphenyl)-N-(2-methylpyrazol-3-yl)propanamide.

Molecular Properties

Compound Name(2R)-2-amino-3-(4-hydroxyphenyl)-N-(2-methylpyrazol-3-yl)propanamide
PubChem CID104905050
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name(2R)-2-amino-3-(4-hydroxyphenyl)-N-(2-methylpyrazol-3-yl)propanamide
SMILESCn1nccc1NC(=O)[C@H](N)Cc1ccc(O)cc1
InChIInChI=1S/C13H16N4O2/c1-17-12(6-7-15-17)16-13(19)11(14)8-9-2-4-10(18)5-3-9/h2-7,11,18H,8,14H2,1H3,(H,16,19)/t11-/m1/s1
InChIKeyRBUZYIUHSFBAFR-LLVKDONJSA-N
XLogP0.63
TPSA93.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 50.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-amino-3-(4-hydroxyphenyl)-N-(1-methylpyrazol-4-yl)propanamide
CID 61156101
(2R)-2-amino-N-(3-hydroxy-6-methyl-2-pyridinyl)-3-(4-hydroxyphenyl)propanamide
CID 104905499
(2S)-2-amino-3-(4-hydroxyphenyl)-N-(3-methyl-1,2-oxazol-5-yl)propanamide
CID 61148539
2-amino-3-(4-hydroxyphenyl)-N-(4-methylpiperazin-1-yl)propanamide
CID 114350675
4-amino-2-methyl-N-(2-methylpyrazol-3-yl)butanamide
CID 80543787
2-amino-3-(4-hydroxyphenyl)-N-pyridin-3-ylpropanamide
CID 76892449
(2R)-2-amino-N-(4-hydroxy-3-methylphenyl)-3-(4-hydroxyphenyl)propanamide
CID 104905420
(2R)-2-amino-3-(4-hydroxyphenyl)-N-(1,3-thiazol-2-yl)propanamide
CID 104904532
2-amino-N-[2-(2-methylpyrazol-3-yl)ethyl]-3-phenylpropanamide
CID 103006482
(2S)-2-amino-N-(2-ethylphenyl)-3-(4-hydroxyphenyl)propanamide
CID 61149131
2-amino-3-(4-hydroxyphenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
CID 114350796
methyl (2S)-2-amino-3-[4-(2-methylpyrazol-3-yl)phenyl]propanoate;dihydrochloride
CID 66719717

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-(4-hydroxyphenyl)-N-(2-methylpyrazol-3-yl)propanamide?
The IUPAC name of (2R)-2-amino-3-(4-hydroxyphenyl)-N-(2-methylpyrazol-3-yl)propanamide (CID 104905050) is (2R)-2-amino-3-(4-hydroxyphenyl)-N-(2-methylpyrazol-3-yl)propanamide.
What is the SMILES notation for (2R)-2-amino-3-(4-hydroxyphenyl)-N-(2-methylpyrazol-3-yl)propanamide?
The canonical SMILES for (2R)-2-amino-3-(4-hydroxyphenyl)-N-(2-methylpyrazol-3-yl)propanamide is Cn1nccc1NC(=O)[C@H](N)Cc1ccc(O)cc1.
What is the InChIKey of (2R)-2-amino-3-(4-hydroxyphenyl)-N-(2-methylpyrazol-3-yl)propanamide?
The InChIKey is RBUZYIUHSFBAFR-LLVKDONJSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-17-12(6-7-15-17)16-13(19)11(14)8-9-2-4-10(18)5-3-9/h2-7,11,18H,8,14H2,1H3,(H,16,19)/t11-/m1/s1.
What are the key properties of (2R)-2-amino-3-(4-hydroxyphenyl)-N-(2-methylpyrazol-3-yl)propanamide?
(2R)-2-amino-3-(4-hydroxyphenyl)-N-(2-methylpyrazol-3-yl)propanamide has a molecular weight of 260.30 g/mol, XLogP of 0.63, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-(4-hydroxyphenyl)-N-(2-methylpyrazol-3-yl)propanamide is sourced from PubChem (CID 104905050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).