N-methyl-N-(2-propan-2-yloxyethyl)-2-(1H-pyrazol-5-yl)acetamide

C11H19N3O2 — CID 75427165

IUPACN-methyl-N-(2-propan-2-yloxyethyl)-2-(1H-pyrazol-5-yl)acetamide
SMILESCC(C)OCCN(C)C(=O)Cc1ccn[nH]1
InChIInChI=1S/C11H19N3O2/c1-9(2)16-7-6-14(3)11(15)8-10-4-5-12-13-10/h4-5,9H,6-8H2,1-3H3,(H,12,13)
InChIKeySIXLZUURPVYBAK-UHFFFAOYSA-N
MW225.29 g/mol
LogP0.84
Rot. Bonds6

About N-methyl-N-(2-propan-2-yloxyethyl)-2-(1H-pyrazol-5-yl)acetamide

N-methyl-N-(2-propan-2-yloxyethyl)-2-(1H-pyrazol-5-yl)acetamide (PubChem CID 75427165) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is N-methyl-N-(2-propan-2-yloxyethyl)-2-(1H-pyrazol-5-yl)acetamide.

Molecular Properties

Compound NameN-methyl-N-(2-propan-2-yloxyethyl)-2-(1H-pyrazol-5-yl)acetamide
PubChem CID75427165
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC NameN-methyl-N-(2-propan-2-yloxyethyl)-2-(1H-pyrazol-5-yl)acetamide
SMILESCC(C)OCCN(C)C(=O)Cc1ccn[nH]1
InChIInChI=1S/C11H19N3O2/c1-9(2)16-7-6-14(3)11(15)8-10-4-5-12-13-10/h4-5,9H,6-8H2,1-3H3,(H,12,13)
InChIKeySIXLZUURPVYBAK-UHFFFAOYSA-N
XLogP0.84
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-propan-2-yloxyethyl)-2-(1H-pyrazol-5-yl)acetamide?
The IUPAC name of N-methyl-N-(2-propan-2-yloxyethyl)-2-(1H-pyrazol-5-yl)acetamide (CID 75427165) is N-methyl-N-(2-propan-2-yloxyethyl)-2-(1H-pyrazol-5-yl)acetamide.
What is the SMILES notation for N-methyl-N-(2-propan-2-yloxyethyl)-2-(1H-pyrazol-5-yl)acetamide?
The canonical SMILES for N-methyl-N-(2-propan-2-yloxyethyl)-2-(1H-pyrazol-5-yl)acetamide is CC(C)OCCN(C)C(=O)Cc1ccn[nH]1.
What is the InChIKey of N-methyl-N-(2-propan-2-yloxyethyl)-2-(1H-pyrazol-5-yl)acetamide?
The InChIKey is SIXLZUURPVYBAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-9(2)16-7-6-14(3)11(15)8-10-4-5-12-13-10/h4-5,9H,6-8H2,1-3H3,(H,12,13).
What are the key properties of N-methyl-N-(2-propan-2-yloxyethyl)-2-(1H-pyrazol-5-yl)acetamide?
N-methyl-N-(2-propan-2-yloxyethyl)-2-(1H-pyrazol-5-yl)acetamide has a molecular weight of 225.29 g/mol, XLogP of 0.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-propan-2-yloxyethyl)-2-(1H-pyrazol-5-yl)acetamide is sourced from PubChem (CID 75427165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).