N-(1-hydroxy-4-methylpentan-3-yl)-2-pyrazol-1-ylacetamide

C11H19N3O2 — CID 103782364

IUPACN-(1-hydroxy-4-methylpentan-3-yl)-2-pyrazol-1-ylacetamide
SMILESCC(C)C(CCO)NC(=O)Cn1cccn1
InChIInChI=1S/C11H19N3O2/c1-9(2)10(4-7-15)13-11(16)8-14-6-3-5-12-14/h3,5-6,9-10,15H,4,7-8H2,1-2H3,(H,13,16)
InChIKeyOOVFCHLBSVRKGM-UHFFFAOYSA-N
MW225.29 g/mol
LogP0.41
Rot. Bonds6

About N-(1-hydroxy-4-methylpentan-3-yl)-2-pyrazol-1-ylacetamide

N-(1-hydroxy-4-methylpentan-3-yl)-2-pyrazol-1-ylacetamide (PubChem CID 103782364) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is N-(1-hydroxy-4-methylpentan-3-yl)-2-pyrazol-1-ylacetamide.

Molecular Properties

Compound NameN-(1-hydroxy-4-methylpentan-3-yl)-2-pyrazol-1-ylacetamide
PubChem CID103782364
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC NameN-(1-hydroxy-4-methylpentan-3-yl)-2-pyrazol-1-ylacetamide
SMILESCC(C)C(CCO)NC(=O)Cn1cccn1
InChIInChI=1S/C11H19N3O2/c1-9(2)10(4-7-15)13-11(16)8-14-6-3-5-12-14/h3,5-6,9-10,15H,4,7-8H2,1-2H3,(H,13,16)
InChIKeyOOVFCHLBSVRKGM-UHFFFAOYSA-N
XLogP0.41
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-pyrazol-1-ylacetamide
CID 79252208
4-methyl-3-(2-pyrazol-1-ylethylamino)pentan-1-ol
CID 104891912
(2S)-2-[(2-pyrazol-1-ylacetyl)amino]hexanoic acid
CID 93057045
N-(1-hydroxy-4-methylpentan-3-yl)-2-(methylamino)acetamide
CID 103810718
N-(1-hydroxy-4-methylpentan-3-yl)-3-imidazol-1-ylhexanamide
CID 106352921
N-(1-hydroxy-4-methylpentan-3-yl)-2-sulfanylacetamide
CID 106357968
2-chloro-N-(1-hydroxy-4-methylpentan-3-yl)acetamide
CID 103881700
3-methyl-1-pyrazol-1-ylbutan-2-one
CID 59531413
N-[(2S)-4-(4-propan-2-yloxyphenyl)butan-2-yl]-2-pyrazol-1-ylacetamide
CID 94797701
N-ethoxy-2-pyrazol-1-ylacetamide
CID 60700858
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(1-hydroxy-4-methylpentan-3-yl)acetamide
CID 107363290
3-methyl-2-(3-pyrazol-1-ylpropanoylamino)butanoic acid
CID 43211036

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-4-methylpentan-3-yl)-2-pyrazol-1-ylacetamide?
The IUPAC name of N-(1-hydroxy-4-methylpentan-3-yl)-2-pyrazol-1-ylacetamide (CID 103782364) is N-(1-hydroxy-4-methylpentan-3-yl)-2-pyrazol-1-ylacetamide.
What is the SMILES notation for N-(1-hydroxy-4-methylpentan-3-yl)-2-pyrazol-1-ylacetamide?
The canonical SMILES for N-(1-hydroxy-4-methylpentan-3-yl)-2-pyrazol-1-ylacetamide is CC(C)C(CCO)NC(=O)Cn1cccn1.
What is the InChIKey of N-(1-hydroxy-4-methylpentan-3-yl)-2-pyrazol-1-ylacetamide?
The InChIKey is OOVFCHLBSVRKGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-9(2)10(4-7-15)13-11(16)8-14-6-3-5-12-14/h3,5-6,9-10,15H,4,7-8H2,1-2H3,(H,13,16).
What are the key properties of N-(1-hydroxy-4-methylpentan-3-yl)-2-pyrazol-1-ylacetamide?
N-(1-hydroxy-4-methylpentan-3-yl)-2-pyrazol-1-ylacetamide has a molecular weight of 225.29 g/mol, XLogP of 0.41, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-4-methylpentan-3-yl)-2-pyrazol-1-ylacetamide is sourced from PubChem (CID 103782364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).