N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-pyrazol-1-ylpropanamide

C11H19N3O2 — CID 79252196

IUPACN-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-pyrazol-1-ylpropanamide
SMILESCC(C)[C@@H](CO)NC(=O)C(C)n1cccn1
InChIInChI=1S/C11H19N3O2/c1-8(2)10(7-15)13-11(16)9(3)14-6-4-5-12-14/h4-6,8-10,15H,7H2,1-3H3,(H,13,16)/t9?,10-/m1/s1
InChIKeyGYQUOANWBIBCQY-QVDQXJPCSA-N
MW225.29 g/mol
LogP0.58
Rot. Bonds5

About N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-pyrazol-1-ylpropanamide

N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-pyrazol-1-ylpropanamide (PubChem CID 79252196) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-pyrazol-1-ylpropanamide.

Molecular Properties

Compound NameN-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-pyrazol-1-ylpropanamide
PubChem CID79252196
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC NameN-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-pyrazol-1-ylpropanamide
SMILESCC(C)[C@@H](CO)NC(=O)C(C)n1cccn1
InChIInChI=1S/C11H19N3O2/c1-8(2)10(7-15)13-11(16)9(3)14-6-4-5-12-14/h4-6,8-10,15H,7H2,1-3H3,(H,13,16)/t9?,10-/m1/s1
InChIKeyGYQUOANWBIBCQY-QVDQXJPCSA-N
XLogP0.58
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-hydroxybutan-2-yl)-2-pyrazol-1-ylpropanamide
CID 81047310
N-(1-hydroxy-3-methylbutan-2-yl)-2-(1,2,4-triazol-1-yl)propanamide
CID 79252621
3-methyl-2-(2-pyrazol-1-ylpropanoylamino)butanoic acid
CID 43211034
N-(1-aminopropan-2-yl)-2-pyrazol-1-ylpropanamide
CID 63732994
N-[(1R)-2-hydroxy-1-phenylethyl]-2-pyrazol-1-ylpropanamide
CID 103772679
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-pyrazol-1-ylacetamide
CID 79252208
3-methyl-2-[(2-pyrazol-1-ylpropanoylamino)methyl]butanoic acid
CID 65220604
2-methyl-3-(2-pyrazol-1-ylpropanoylamino)propanoic acid
CID 62676010
N-(2-amino-2-methylpropyl)-2-pyrazol-1-ylpropanamide;dihydrochloride
CID 119626027
(2R)-2-(2-pyrazol-1-ylpropanoylamino)hexanedioic acid
CID 107831630
N-(2-methylsulfanyl-1-phenylethyl)-2-pyrazol-1-ylpropanamide
CID 75372358
(2R)-N-[(2S)-1-morpholin-4-ylpropan-2-yl]-2-pyrazol-1-ylpropanamide
CID 95134476

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-pyrazol-1-ylpropanamide?
The IUPAC name of N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-pyrazol-1-ylpropanamide (CID 79252196) is N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-pyrazol-1-ylpropanamide.
What is the SMILES notation for N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-pyrazol-1-ylpropanamide?
The canonical SMILES for N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-pyrazol-1-ylpropanamide is CC(C)[C@@H](CO)NC(=O)C(C)n1cccn1.
What is the InChIKey of N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-pyrazol-1-ylpropanamide?
The InChIKey is GYQUOANWBIBCQY-QVDQXJPCSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-8(2)10(7-15)13-11(16)9(3)14-6-4-5-12-14/h4-6,8-10,15H,7H2,1-3H3,(H,13,16)/t9?,10-/m1/s1.
What are the key properties of N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-pyrazol-1-ylpropanamide?
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-pyrazol-1-ylpropanamide has a molecular weight of 225.29 g/mol, XLogP of 0.58, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-pyrazol-1-ylpropanamide is sourced from PubChem (CID 79252196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).