N-(2-hydroxy-3-methoxy-2-methylpropyl)-3-methoxy-1-methylpyrazole-4-carboxamide

C11H19N3O4 — CID 56724189

IUPACN-(2-hydroxy-3-methoxy-2-methylpropyl)-3-methoxy-1-methylpyrazole-4-carboxamide
SMILESCOCC(C)(O)CNC(=O)c1cn(C)nc1OC
InChIInChI=1S/C11H19N3O4/c1-11(16,7-17-3)6-12-9(15)8-5-14(2)13-10(8)18-4/h5,16H,6-7H2,1-4H3,(H,12,15)
InChIKeyVCORSTXWPARPHZ-UHFFFAOYSA-N
MW257.29 g/mol
LogP-0.44
Rot. Bonds6

About N-(2-hydroxy-3-methoxy-2-methylpropyl)-3-methoxy-1-methylpyrazole-4-carboxamide

N-(2-hydroxy-3-methoxy-2-methylpropyl)-3-methoxy-1-methylpyrazole-4-carboxamide (PubChem CID 56724189) has the molecular formula C11H19N3O4 and a molecular weight of 257.29 g/mol. Its IUPAC name is N-(2-hydroxy-3-methoxy-2-methylpropyl)-3-methoxy-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-3-methoxy-2-methylpropyl)-3-methoxy-1-methylpyrazole-4-carboxamide
PubChem CID56724189
Molecular FormulaC11H19N3O4
Molecular Weight257.29 g/mol
Exact Mass257.14
IUPAC NameN-(2-hydroxy-3-methoxy-2-methylpropyl)-3-methoxy-1-methylpyrazole-4-carboxamide
SMILESCOCC(C)(O)CNC(=O)c1cn(C)nc1OC
InChIInChI=1S/C11H19N3O4/c1-11(16,7-17-3)6-12-9(15)8-5-14(2)13-10(8)18-4/h5,16H,6-7H2,1-4H3,(H,12,15)
InChIKeyVCORSTXWPARPHZ-UHFFFAOYSA-N
XLogP-0.44
TPSA85.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 5-0.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-3-methoxy-2-methylpropyl)-3-methoxy-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-(2-hydroxy-3-methoxy-2-methylpropyl)-3-methoxy-1-methylpyrazole-4-carboxamide (CID 56724189) is N-(2-hydroxy-3-methoxy-2-methylpropyl)-3-methoxy-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-(2-hydroxy-3-methoxy-2-methylpropyl)-3-methoxy-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-(2-hydroxy-3-methoxy-2-methylpropyl)-3-methoxy-1-methylpyrazole-4-carboxamide is COCC(C)(O)CNC(=O)c1cn(C)nc1OC.
What is the InChIKey of N-(2-hydroxy-3-methoxy-2-methylpropyl)-3-methoxy-1-methylpyrazole-4-carboxamide?
The InChIKey is VCORSTXWPARPHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O4/c1-11(16,7-17-3)6-12-9(15)8-5-14(2)13-10(8)18-4/h5,16H,6-7H2,1-4H3,(H,12,15).
What are the key properties of N-(2-hydroxy-3-methoxy-2-methylpropyl)-3-methoxy-1-methylpyrazole-4-carboxamide?
N-(2-hydroxy-3-methoxy-2-methylpropyl)-3-methoxy-1-methylpyrazole-4-carboxamide has a molecular weight of 257.29 g/mol, XLogP of -0.44, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-3-methoxy-2-methylpropyl)-3-methoxy-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 56724189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).