N-(2-methoxyethyl)-3-(3-methylpyrazol-1-yl)propanamide

C10H17N3O2 — CID 19555927

IUPACN-(2-methoxyethyl)-3-(3-methylpyrazol-1-yl)propanamide
SMILESCOCCNC(=O)CCn1ccc(C)n1
InChIInChI=1S/C10H17N3O2/c1-9-3-6-13(12-9)7-4-10(14)11-5-8-15-2/h3,6H,4-5,7-8H2,1-2H3,(H,11,14)
InChIKeyNTCJVXZGGASEJS-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.34
Rot. Bonds6

About N-(2-methoxyethyl)-3-(3-methylpyrazol-1-yl)propanamide

N-(2-methoxyethyl)-3-(3-methylpyrazol-1-yl)propanamide (PubChem CID 19555927) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3-(3-methylpyrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3-(3-methylpyrazol-1-yl)propanamide
PubChem CID19555927
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC NameN-(2-methoxyethyl)-3-(3-methylpyrazol-1-yl)propanamide
SMILESCOCCNC(=O)CCn1ccc(C)n1
InChIInChI=1S/C10H17N3O2/c1-9-3-6-13(12-9)7-4-10(14)11-5-8-15-2/h3,6H,4-5,7-8H2,1-2H3,(H,11,14)
InChIKeyNTCJVXZGGASEJS-UHFFFAOYSA-N
XLogP0.34
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-methoxypropyl)-3-(3-methylpyrazol-1-yl)propanamide
CID 19559507
N-[3-(3-methylpyrazol-1-yl)propyl]butanamide
CID 19323910
N-[1-(methoxymethyl)pyrazol-4-yl]-3-(3-methylpyrazol-1-yl)propanamide
CID 19559500
ethane;1-(2-methoxyethyl)-3-methylpyrazole
CID 153333995
N-[(4-fluorophenyl)methyl]-3-(3-methylpyrazol-1-yl)propanamide
CID 19555724
N-(2-methoxyethyl)-3-(5-methylpyrazol-1-yl)propanamide
CID 19569997
3-(3-methylpyrazol-1-yl)-N-(2,3,4,5,6-pentafluorophenyl)propanamide
CID 19555789
N-(2-methoxyethyl)-3-pyrrol-1-ylpropanamide
CID 110688667
N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(3-methylpyrazol-1-yl)propanamide
CID 19555756
N-(2-methylbutan-2-yl)-3-(3-methylpyrazol-1-yl)propanamide
CID 45106808
N-(2,6-dichlorophenyl)-3-(3-methylpyrazol-1-yl)propanamide
CID 19555733
N-(4-fluorophenyl)-3-(3-methylpyrazol-1-yl)propanamide
CID 46339386

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-3-(3-methylpyrazol-1-yl)propanamide?
The IUPAC name of N-(2-methoxyethyl)-3-(3-methylpyrazol-1-yl)propanamide (CID 19555927) is N-(2-methoxyethyl)-3-(3-methylpyrazol-1-yl)propanamide.
What is the SMILES notation for N-(2-methoxyethyl)-3-(3-methylpyrazol-1-yl)propanamide?
The canonical SMILES for N-(2-methoxyethyl)-3-(3-methylpyrazol-1-yl)propanamide is COCCNC(=O)CCn1ccc(C)n1.
What is the InChIKey of N-(2-methoxyethyl)-3-(3-methylpyrazol-1-yl)propanamide?
The InChIKey is NTCJVXZGGASEJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-9-3-6-13(12-9)7-4-10(14)11-5-8-15-2/h3,6H,4-5,7-8H2,1-2H3,(H,11,14).
What are the key properties of N-(2-methoxyethyl)-3-(3-methylpyrazol-1-yl)propanamide?
N-(2-methoxyethyl)-3-(3-methylpyrazol-1-yl)propanamide has a molecular weight of 211.26 g/mol, XLogP of 0.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-3-(3-methylpyrazol-1-yl)propanamide is sourced from PubChem (CID 19555927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).