3-(4-ethoxypyrazol-1-yl)-2-(methylamino)butanamide

C10H18N4O2 — CID 165490241

IUPAC3-(4-ethoxypyrazol-1-yl)-2-(methylamino)butanamide
SMILESCCOc1cnn(C(C)C(NC)C(N)=O)c1
InChIInChI=1S/C10H18N4O2/c1-4-16-8-5-13-14(6-8)7(2)9(12-3)10(11)15/h5-7,9,12H,4H2,1-3H3,(H2,11,15)
InChIKeyRWOIUPUEQYWMBB-UHFFFAOYSA-N
MW226.28 g/mol
LogP-0.08
Rot. Bonds6

About 3-(4-ethoxypyrazol-1-yl)-2-(methylamino)butanamide

3-(4-ethoxypyrazol-1-yl)-2-(methylamino)butanamide (PubChem CID 165490241) has the molecular formula C10H18N4O2 and a molecular weight of 226.28 g/mol. Its IUPAC name is 3-(4-ethoxypyrazol-1-yl)-2-(methylamino)butanamide.

Molecular Properties

Compound Name3-(4-ethoxypyrazol-1-yl)-2-(methylamino)butanamide
PubChem CID165490241
Molecular FormulaC10H18N4O2
Molecular Weight226.28 g/mol
Exact Mass226.14
IUPAC Name3-(4-ethoxypyrazol-1-yl)-2-(methylamino)butanamide
SMILESCCOc1cnn(C(C)C(NC)C(N)=O)c1
InChIInChI=1S/C10H18N4O2/c1-4-16-8-5-13-14(6-8)7(2)9(12-3)10(11)15/h5-7,9,12H,4H2,1-3H3,(H2,11,15)
InChIKeyRWOIUPUEQYWMBB-UHFFFAOYSA-N
XLogP-0.08
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(methylamino)-3-(4-methylpyrazol-1-yl)butanamide
CID 165486221
3-(4-ethoxypyrazol-1-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 165495586
2-amino-3-(4-methoxypyrazol-1-yl)butanamide
CID 165485425
4-(4-ethoxypyrazol-1-yl)-2-methyl-2-(methylamino)pentanenitrile
CID 114274309
ethyl 2-(methylamino)-3-pyrazol-1-ylbutanoate
CID 165475420
N-propan-2-yl-2-(1-propan-2-ylpyrazol-4-yl)oxyacetamide
CID 116805305
ethyl 2-(1-propan-2-ylpyrazol-4-yl)oxypentanoate
CID 116799923
2-(4-ethoxypyrazol-1-yl)-N-(furan-2-ylmethyl)propan-1-amine
CID 114274283
4-iodo-1-(3-methylpentan-2-yl)pyrazole
CID 130748253
ethyl 2-amino-3-(4-chloropyrazol-1-yl)butanoate
CID 165485934
(1-propan-2-ylpyrazol-4-yl) N-propylcarbamate
CID 13101187
2-chloro-3-(1-propan-2-ylpyrazol-4-yl)oxypropanoic acid
CID 116804052

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethoxypyrazol-1-yl)-2-(methylamino)butanamide?
The IUPAC name of 3-(4-ethoxypyrazol-1-yl)-2-(methylamino)butanamide (CID 165490241) is 3-(4-ethoxypyrazol-1-yl)-2-(methylamino)butanamide.
What is the SMILES notation for 3-(4-ethoxypyrazol-1-yl)-2-(methylamino)butanamide?
The canonical SMILES for 3-(4-ethoxypyrazol-1-yl)-2-(methylamino)butanamide is CCOc1cnn(C(C)C(NC)C(N)=O)c1.
What is the InChIKey of 3-(4-ethoxypyrazol-1-yl)-2-(methylamino)butanamide?
The InChIKey is RWOIUPUEQYWMBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2/c1-4-16-8-5-13-14(6-8)7(2)9(12-3)10(11)15/h5-7,9,12H,4H2,1-3H3,(H2,11,15).
What are the key properties of 3-(4-ethoxypyrazol-1-yl)-2-(methylamino)butanamide?
3-(4-ethoxypyrazol-1-yl)-2-(methylamino)butanamide has a molecular weight of 226.28 g/mol, XLogP of -0.08, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxypyrazol-1-yl)-2-(methylamino)butanamide is sourced from PubChem (CID 165490241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).