(2S)-2-amino-3-(4-hydroxyphenyl)-N-(1-pyrazol-1-ylpropan-2-yl)propanamide

C15H20N4O2 — CID 61154759

IUPAC(2S)-2-amino-3-(4-hydroxyphenyl)-N-(1-pyrazol-1-ylpropan-2-yl)propanamide
SMILESCC(Cn1cccn1)NC(=O)[C@@H](N)Cc1ccc(O)cc1
InChIInChI=1S/C15H20N4O2/c1-11(10-19-8-2-7-17-19)18-15(21)14(16)9-12-3-5-13(20)6-4-12/h2-8,11,14,20H,9-10,16H2,1H3,(H,18,21)/t11?,14-/m0/s1
InChIKeyKVIXFNIHRPYHMM-IAXJKZSUSA-N
MW288.35 g/mol
LogP0.66
Rot. Bonds6

About (2S)-2-amino-3-(4-hydroxyphenyl)-N-(1-pyrazol-1-ylpropan-2-yl)propanamide

(2S)-2-amino-3-(4-hydroxyphenyl)-N-(1-pyrazol-1-ylpropan-2-yl)propanamide (PubChem CID 61154759) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is (2S)-2-amino-3-(4-hydroxyphenyl)-N-(1-pyrazol-1-ylpropan-2-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-amino-3-(4-hydroxyphenyl)-N-(1-pyrazol-1-ylpropan-2-yl)propanamide
PubChem CID61154759
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name(2S)-2-amino-3-(4-hydroxyphenyl)-N-(1-pyrazol-1-ylpropan-2-yl)propanamide
SMILESCC(Cn1cccn1)NC(=O)[C@@H](N)Cc1ccc(O)cc1
InChIInChI=1S/C15H20N4O2/c1-11(10-19-8-2-7-17-19)18-15(21)14(16)9-12-3-5-13(20)6-4-12/h2-8,11,14,20H,9-10,16H2,1H3,(H,18,21)/t11?,14-/m0/s1
InChIKeyKVIXFNIHRPYHMM-IAXJKZSUSA-N
XLogP0.66
TPSA93.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 50.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-amino-3-(4-hydroxyphenyl)-N-(1-methoxypropan-2-yl)propanamide
CID 61148762
2-amino-2-(4-methylphenyl)-N-(1-pyrazol-1-ylpropan-2-yl)acetamide;dihydrochloride
CID 120670649
4-(aminomethyl)-N-(1-pyrazol-1-ylpropan-2-yl)benzamide
CID 43695373
(2S)-2-amino-3-(4-hydroxyphenyl)-N-[(2R)-1-oxo-1-[[(2R)-4-phenylbutan-2-yl]amino]propan-2-yl]propanamide
CID 18598850
ethyl 2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoate
CID 76905411
2-amino-3-(4-hydroxyphenyl)-N-[(1R)-1-pyridin-3-ylethyl]propanamide
CID 104905410
(2R)-2-amino-3-(4-hydroxyphenyl)-N-(2-pyrrol-1-ylethyl)propanamide
CID 106391024
3,5-dihydroxy-N-(1-pyrazol-1-ylpropan-2-yl)benzamide
CID 103891981
(2R)-2-amino-N-butan-2-yl-3-phenylpropanamide
CID 78985447
2-[2-[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoylamino]propanoylamino]propanoic acid
CID 19950021
(2S)-2-[[(2R)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylbutanamide
CID 7023501
(2R)-2-amino-N-(1-hydroxy-3-methylbutan-2-yl)-3-(4-hydroxyphenyl)propanamide
CID 104905321

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(4-hydroxyphenyl)-N-(1-pyrazol-1-ylpropan-2-yl)propanamide?
The IUPAC name of (2S)-2-amino-3-(4-hydroxyphenyl)-N-(1-pyrazol-1-ylpropan-2-yl)propanamide (CID 61154759) is (2S)-2-amino-3-(4-hydroxyphenyl)-N-(1-pyrazol-1-ylpropan-2-yl)propanamide.
What is the SMILES notation for (2S)-2-amino-3-(4-hydroxyphenyl)-N-(1-pyrazol-1-ylpropan-2-yl)propanamide?
The canonical SMILES for (2S)-2-amino-3-(4-hydroxyphenyl)-N-(1-pyrazol-1-ylpropan-2-yl)propanamide is CC(Cn1cccn1)NC(=O)[C@@H](N)Cc1ccc(O)cc1.
What is the InChIKey of (2S)-2-amino-3-(4-hydroxyphenyl)-N-(1-pyrazol-1-ylpropan-2-yl)propanamide?
The InChIKey is KVIXFNIHRPYHMM-IAXJKZSUSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-11(10-19-8-2-7-17-19)18-15(21)14(16)9-12-3-5-13(20)6-4-12/h2-8,11,14,20H,9-10,16H2,1H3,(H,18,21)/t11?,14-/m0/s1.
What are the key properties of (2S)-2-amino-3-(4-hydroxyphenyl)-N-(1-pyrazol-1-ylpropan-2-yl)propanamide?
(2S)-2-amino-3-(4-hydroxyphenyl)-N-(1-pyrazol-1-ylpropan-2-yl)propanamide has a molecular weight of 288.35 g/mol, XLogP of 0.66, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-(4-hydroxyphenyl)-N-(1-pyrazol-1-ylpropan-2-yl)propanamide is sourced from PubChem (CID 61154759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).