2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(1-hydroxy-2-methylpropan-2-yl)acetamide

C11H19N3O2 — CID 43500553

IUPAC2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(1-hydroxy-2-methylpropan-2-yl)acetamide
SMILESCc1n[nH]c(C)c1CC(=O)NC(C)(C)CO
InChIInChI=1S/C11H19N3O2/c1-7-9(8(2)14-13-7)5-10(16)12-11(3,4)6-15/h15H,5-6H2,1-4H3,(H,12,16)(H,13,14)
InChIKeyPIHSKZHSSHATMT-UHFFFAOYSA-N
MW225.29 g/mol
LogP0.46
Rot. Bonds4

About 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(1-hydroxy-2-methylpropan-2-yl)acetamide

2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(1-hydroxy-2-methylpropan-2-yl)acetamide (PubChem CID 43500553) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(1-hydroxy-2-methylpropan-2-yl)acetamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(1-hydroxy-2-methylpropan-2-yl)acetamide
PubChem CID43500553
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(1-hydroxy-2-methylpropan-2-yl)acetamide
SMILESCc1n[nH]c(C)c1CC(=O)NC(C)(C)CO
InChIInChI=1S/C11H19N3O2/c1-7-9(8(2)14-13-7)5-10(16)12-11(3,4)6-15/h15H,5-6H2,1-4H3,(H,12,16)(H,13,14)
InChIKeyPIHSKZHSSHATMT-UHFFFAOYSA-N
XLogP0.46
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(1-hydroxy-2-methylpropan-2-yl)acetamide?
The IUPAC name of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(1-hydroxy-2-methylpropan-2-yl)acetamide (CID 43500553) is 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(1-hydroxy-2-methylpropan-2-yl)acetamide.
What is the SMILES notation for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(1-hydroxy-2-methylpropan-2-yl)acetamide?
The canonical SMILES for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(1-hydroxy-2-methylpropan-2-yl)acetamide is Cc1n[nH]c(C)c1CC(=O)NC(C)(C)CO.
What is the InChIKey of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(1-hydroxy-2-methylpropan-2-yl)acetamide?
The InChIKey is PIHSKZHSSHATMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-7-9(8(2)14-13-7)5-10(16)12-11(3,4)6-15/h15H,5-6H2,1-4H3,(H,12,16)(H,13,14).
What are the key properties of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(1-hydroxy-2-methylpropan-2-yl)acetamide?
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(1-hydroxy-2-methylpropan-2-yl)acetamide has a molecular weight of 225.29 g/mol, XLogP of 0.46, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(1-hydroxy-2-methylpropan-2-yl)acetamide is sourced from PubChem (CID 43500553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).