N-ethyl-2-[4-[(2-methoxyethylamino)methyl]-3,5-dimethylpyrazol-1-yl]acetamide

C13H24N4O2 — CID 66401288

IUPACN-ethyl-2-[4-[(2-methoxyethylamino)methyl]-3,5-dimethylpyrazol-1-yl]acetamide
SMILESCCNC(=O)Cn1nc(C)c(CNCCOC)c1C
InChIInChI=1S/C13H24N4O2/c1-5-15-13(18)9-17-11(3)12(10(2)16-17)8-14-6-7-19-4/h14H,5-9H2,1-4H3,(H,15,18)
InChIKeySZPOHRRFXBRISG-UHFFFAOYSA-N
MW268.36 g/mol
LogP0.37
Rot. Bonds8

About N-ethyl-2-[4-[(2-methoxyethylamino)methyl]-3,5-dimethylpyrazol-1-yl]acetamide

N-ethyl-2-[4-[(2-methoxyethylamino)methyl]-3,5-dimethylpyrazol-1-yl]acetamide (PubChem CID 66401288) has the molecular formula C13H24N4O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is N-ethyl-2-[4-[(2-methoxyethylamino)methyl]-3,5-dimethylpyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-ethyl-2-[4-[(2-methoxyethylamino)methyl]-3,5-dimethylpyrazol-1-yl]acetamide
PubChem CID66401288
Molecular FormulaC13H24N4O2
Molecular Weight268.36 g/mol
Exact Mass268.19
IUPAC NameN-ethyl-2-[4-[(2-methoxyethylamino)methyl]-3,5-dimethylpyrazol-1-yl]acetamide
SMILESCCNC(=O)Cn1nc(C)c(CNCCOC)c1C
InChIInChI=1S/C13H24N4O2/c1-5-15-13(18)9-17-11(3)12(10(2)16-17)8-14-6-7-19-4/h14H,5-9H2,1-4H3,(H,15,18)
InChIKeySZPOHRRFXBRISG-UHFFFAOYSA-N
XLogP0.37
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-cyclopropyl-2-[4-[(2-methoxyethylamino)methyl]-3,5-dimethylpyrazol-1-yl]acetamide
CID 66401290
2-[3,5-dimethyl-4-(methylaminomethyl)pyrazol-1-yl]-N-ethylacetamide
CID 43647675
propan-2-yl 2-[4-[(2-methoxyethylamino)methyl]-3,5-dimethylpyrazol-1-yl]acetate
CID 66401684
2-[4-[(2-methoxyethylamino)methyl]-3,5-dimethylpyrazol-1-yl]-1-pyrrolidin-1-ylethanone
CID 66402660
N-[(1-hexyl-3,5-dimethylpyrazol-4-yl)methyl]-2-methoxyethanamine
CID 62732261
N-(cyclopropylmethyl)-2-[3,5-dimethyl-4-(propylaminomethyl)pyrazol-1-yl]acetamide
CID 43647907
4-[4-[(2-methoxyethylamino)methyl]-3,5-dimethylpyrazol-1-yl]-N-methylbutanamide
CID 66400695
2-[4-(ethylaminomethyl)-3,5-dimethylpyrazol-1-yl]-N-(2-methylpropyl)acetamide
CID 43647788
N-[[3,5-dimethyl-1-(2-propylsulfonylethyl)pyrazol-4-yl]methyl]-2-methoxyethanamine
CID 106717707
2-[3,5-dimethyl-4-(propylaminomethyl)pyrazol-1-yl]-N-(2-methylbutan-2-yl)acetamide
CID 61486141
3-[4-[(2-methoxyethylamino)methyl]-3,5-dimethylpyrazol-1-yl]-N,N-dimethylpropan-1-amine
CID 114526188
N-ethyl-2-(2-methoxyethylamino)acetamide
CID 28565523

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[4-[(2-methoxyethylamino)methyl]-3,5-dimethylpyrazol-1-yl]acetamide?
The IUPAC name of N-ethyl-2-[4-[(2-methoxyethylamino)methyl]-3,5-dimethylpyrazol-1-yl]acetamide (CID 66401288) is N-ethyl-2-[4-[(2-methoxyethylamino)methyl]-3,5-dimethylpyrazol-1-yl]acetamide.
What is the SMILES notation for N-ethyl-2-[4-[(2-methoxyethylamino)methyl]-3,5-dimethylpyrazol-1-yl]acetamide?
The canonical SMILES for N-ethyl-2-[4-[(2-methoxyethylamino)methyl]-3,5-dimethylpyrazol-1-yl]acetamide is CCNC(=O)Cn1nc(C)c(CNCCOC)c1C.
What is the InChIKey of N-ethyl-2-[4-[(2-methoxyethylamino)methyl]-3,5-dimethylpyrazol-1-yl]acetamide?
The InChIKey is SZPOHRRFXBRISG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2/c1-5-15-13(18)9-17-11(3)12(10(2)16-17)8-14-6-7-19-4/h14H,5-9H2,1-4H3,(H,15,18).
What are the key properties of N-ethyl-2-[4-[(2-methoxyethylamino)methyl]-3,5-dimethylpyrazol-1-yl]acetamide?
N-ethyl-2-[4-[(2-methoxyethylamino)methyl]-3,5-dimethylpyrazol-1-yl]acetamide has a molecular weight of 268.36 g/mol, XLogP of 0.37, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[4-[(2-methoxyethylamino)methyl]-3,5-dimethylpyrazol-1-yl]acetamide is sourced from PubChem (CID 66401288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).