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

C10H17N3O2 — CID 79252208

IUPACN-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-pyrazol-1-ylacetamide
SMILESCC(C)[C@@H](CO)NC(=O)Cn1cccn1
InChIInChI=1S/C10H17N3O2/c1-8(2)9(7-14)12-10(15)6-13-5-3-4-11-13/h3-5,8-9,14H,6-7H2,1-2H3,(H,12,15)/t9-/m1/s1
InChIKeyOIYIIPXGTDSSDM-SECBINFHSA-N
MW211.26 g/mol
LogP0.02
Rot. Bonds5

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

N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-pyrazol-1-ylacetamide (PubChem CID 79252208) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-pyrazol-1-ylacetamide.

Molecular Properties

Compound NameN-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-pyrazol-1-ylacetamide
PubChem CID79252208
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC NameN-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-pyrazol-1-ylacetamide
SMILESCC(C)[C@@H](CO)NC(=O)Cn1cccn1
InChIInChI=1S/C10H17N3O2/c1-8(2)9(7-14)12-10(15)6-13-5-3-4-11-13/h3-5,8-9,14H,6-7H2,1-2H3,(H,12,15)/t9-/m1/s1
InChIKeyOIYIIPXGTDSSDM-SECBINFHSA-N
XLogP0.02
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-hydroxy-4-methylpentan-3-yl)-2-pyrazol-1-ylacetamide
CID 103782364
2-(3-amino-1,2,4-triazol-1-yl)-N-(1-hydroxy-3-methylbutan-2-yl)acetamide
CID 79248179
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-pyrazol-1-ylpropanamide
CID 79252196
(2S)-2-[(2-pyrazol-1-ylacetyl)amino]hexanoic acid
CID 93057045
3-methyl-1-pyrazol-1-ylbutan-2-one
CID 59531413
N-(1-hydroxy-3-methylbutan-2-yl)-2-(propylamino)acetamide
CID 79249827
N-ethoxy-2-pyrazol-1-ylacetamide
CID 60700858
3-methyl-2-(3-pyrazol-1-ylpropanoylamino)butanoic acid
CID 43211036
N-(1-hydroxypropan-2-yl)-2-(2-oxopyrimidin-1-yl)acetamide
CID 43428142
2-methyl-2-[(2-pyrazol-1-ylacetyl)amino]butanoic acid
CID 79792060
N-(2-amino-1-cyclopropylethyl)-2-pyrazol-1-ylacetamide;dihydrochloride
CID 119616076
N-(1-hydroxy-3-methylbutan-2-yl)-2-pyridin-4-ylsulfanylacetamide
CID 79255664

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-pyrazol-1-ylacetamide?
The IUPAC name of N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-pyrazol-1-ylacetamide (CID 79252208) is N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-pyrazol-1-ylacetamide.
What is the SMILES notation for N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-pyrazol-1-ylacetamide?
The canonical SMILES for N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-pyrazol-1-ylacetamide is CC(C)[C@@H](CO)NC(=O)Cn1cccn1.
What is the InChIKey of N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-pyrazol-1-ylacetamide?
The InChIKey is OIYIIPXGTDSSDM-SECBINFHSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-8(2)9(7-14)12-10(15)6-13-5-3-4-11-13/h3-5,8-9,14H,6-7H2,1-2H3,(H,12,15)/t9-/m1/s1.
What are the key properties of N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-pyrazol-1-ylacetamide?
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-pyrazol-1-ylacetamide has a molecular weight of 211.26 g/mol, XLogP of 0.02, 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-ylacetamide is sourced from PubChem (CID 79252208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).