N-(2-butan-2-ylpyrazol-3-yl)-2-methoxypropanamide

C11H19N3O2 — CID 87023937

IUPACN-(2-butan-2-ylpyrazol-3-yl)-2-methoxypropanamide
SMILESCCC(C)n1nccc1NC(=O)C(C)OC
InChIInChI=1S/C11H19N3O2/c1-5-8(2)14-10(6-7-12-14)13-11(15)9(3)16-4/h6-9H,5H2,1-4H3,(H,13,15)
InChIKeyNNGKACRHLVAXME-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.83
Rot. Bonds5

About N-(2-butan-2-ylpyrazol-3-yl)-2-methoxypropanamide

N-(2-butan-2-ylpyrazol-3-yl)-2-methoxypropanamide (PubChem CID 87023937) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is N-(2-butan-2-ylpyrazol-3-yl)-2-methoxypropanamide.

Molecular Properties

Compound NameN-(2-butan-2-ylpyrazol-3-yl)-2-methoxypropanamide
PubChem CID87023937
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC NameN-(2-butan-2-ylpyrazol-3-yl)-2-methoxypropanamide
SMILESCCC(C)n1nccc1NC(=O)C(C)OC
InChIInChI=1S/C11H19N3O2/c1-5-8(2)14-10(6-7-12-14)13-11(15)9(3)16-4/h6-9H,5H2,1-4H3,(H,13,15)
InChIKeyNNGKACRHLVAXME-UHFFFAOYSA-N
XLogP1.83
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-[2-[(2R)-butan-2-yl]pyrazol-3-yl]-2-(4-nitrophenoxy)propanamide
CID 40674507
N-(2-butan-2-ylpyrazol-3-yl)-4-methoxybenzamide
CID 56725907
[(2R)-1-[[2-[(2R)-butan-2-yl]pyrazol-3-yl]amino]-1-oxopropan-2-yl] 2-(4-phenylphenyl)acetate
CID 8009548
[(2S)-1-[[2-[(2S)-butan-2-yl]pyrazol-3-yl]amino]-1-oxopropan-2-yl] (2S)-2-[(3aR,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]propanoate
CID 124823488
[(2S)-1-[[2-[(2R)-butan-2-yl]pyrazol-3-yl]amino]-1-oxopropan-2-yl] 4-oxo-3H-phthalazine-1-carboxylate
CID 8785236
N-(2-butan-2-ylpyrazol-3-yl)-2-(4-methoxyphenoxy)acetamide
CID 43843335
(2R)-2-[4-(acetamidomethyl)piperidin-1-yl]-N-[2-[(2R)-butan-2-yl]pyrazol-3-yl]propanamide
CID 94183815
[(2S)-1-[[2-[(2S)-butan-2-yl]pyrazol-3-yl]amino]-1-oxopropan-2-yl] 3-(methoxymethyl)-1-benzofuran-2-carboxylate
CID 7550718
N-(2-butan-2-ylpyrazol-3-yl)-3,5-dichloro-4-methoxybenzamide
CID 134049613
N-(2-butan-2-ylpyrazol-3-yl)-3-ethoxy-4-methoxybenzamide
CID 78778552
(2S)-N-[2-[(2S)-butan-2-yl]pyrazol-3-yl]-2-[4-(hydroxymethyl)piperidin-1-yl]propanamide
CID 94896765
(2S)-N-[2-[(2S)-butan-2-yl]pyrazol-3-yl]-2-(2-fluorophenyl)sulfanylpropanamide
CID 2540976

Frequently Asked Questions

What is the IUPAC name of N-(2-butan-2-ylpyrazol-3-yl)-2-methoxypropanamide?
The IUPAC name of N-(2-butan-2-ylpyrazol-3-yl)-2-methoxypropanamide (CID 87023937) is N-(2-butan-2-ylpyrazol-3-yl)-2-methoxypropanamide.
What is the SMILES notation for N-(2-butan-2-ylpyrazol-3-yl)-2-methoxypropanamide?
The canonical SMILES for N-(2-butan-2-ylpyrazol-3-yl)-2-methoxypropanamide is CCC(C)n1nccc1NC(=O)C(C)OC.
What is the InChIKey of N-(2-butan-2-ylpyrazol-3-yl)-2-methoxypropanamide?
The InChIKey is NNGKACRHLVAXME-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-5-8(2)14-10(6-7-12-14)13-11(15)9(3)16-4/h6-9H,5H2,1-4H3,(H,13,15).
What are the key properties of N-(2-butan-2-ylpyrazol-3-yl)-2-methoxypropanamide?
N-(2-butan-2-ylpyrazol-3-yl)-2-methoxypropanamide has a molecular weight of 225.29 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butan-2-ylpyrazol-3-yl)-2-methoxypropanamide is sourced from PubChem (CID 87023937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).