N-(2-methoxyethyl)-3-[(2-propylpyrazol-3-yl)methylamino]propanamide

C13H24N4O2 — CID 114556095

IUPACN-(2-methoxyethyl)-3-[(2-propylpyrazol-3-yl)methylamino]propanamide
SMILESCCCn1nccc1CNCCC(=O)NCCOC
InChIInChI=1S/C13H24N4O2/c1-3-9-17-12(4-7-16-17)11-14-6-5-13(18)15-8-10-19-2/h4,7,14H,3,5-6,8-11H2,1-2H3,(H,15,18)
InChIKeySITYFBNFQFIYFS-UHFFFAOYSA-N
MW268.36 g/mol
LogP0.54
Rot. Bonds10

About N-(2-methoxyethyl)-3-[(2-propylpyrazol-3-yl)methylamino]propanamide

N-(2-methoxyethyl)-3-[(2-propylpyrazol-3-yl)methylamino]propanamide (PubChem CID 114556095) has the molecular formula C13H24N4O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3-[(2-propylpyrazol-3-yl)methylamino]propanamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3-[(2-propylpyrazol-3-yl)methylamino]propanamide
PubChem CID114556095
Molecular FormulaC13H24N4O2
Molecular Weight268.36 g/mol
Exact Mass268.19
IUPAC NameN-(2-methoxyethyl)-3-[(2-propylpyrazol-3-yl)methylamino]propanamide
SMILESCCCn1nccc1CNCCC(=O)NCCOC
InChIInChI=1S/C13H24N4O2/c1-3-9-17-12(4-7-16-17)11-14-6-5-13(18)15-8-10-19-2/h4,7,14H,3,5-6,8-11H2,1-2H3,(H,15,18)
InChIKeySITYFBNFQFIYFS-UHFFFAOYSA-N
XLogP0.54
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 50.54
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

5-methoxy-N-[(2-propylpyrazol-3-yl)methyl]pentan-1-amine
CID 114130077
N-[(2-ethylpyrazol-3-yl)methyl]-2-methoxyethanamine;hydrochloride
CID 126964497
N-(2-methoxyethyl)-3-(5-methylpyrazol-1-yl)propanamide
CID 19569997
1-(2-ethylpyrazol-3-yl)-N-[(2-propylpyrazol-3-yl)methyl]methanamine
CID 19625523
3-[(2-propylpyrazol-3-yl)methylamino]propan-1-ol
CID 114554889
3-[(4-ethylphenyl)methylamino]-N-(2-methoxyethyl)propanamide
CID 112686525
2-(2-methoxyethylamino)-N-(2-propylpyrazol-3-yl)acetamide;hydrochloride
CID 119719149
5-[(2-propylpyrazol-3-yl)methylamino]pentan-1-ol
CID 107316767
2-methoxy-N-[(2-pent-3-ynylpyrazol-3-yl)methyl]ethanamine
CID 104811769
N-(2-methoxyethyl)-3-[(1-methylpyrrol-3-yl)methylamino]propanamide
CID 112547870
N-(2-methoxyethyl)-3-(1H-pyrrol-3-ylmethylamino)propanamide
CID 115686119
N-[(2-propylpyrazol-3-yl)methyl]hydroxylamine
CID 114556004

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-3-[(2-propylpyrazol-3-yl)methylamino]propanamide?
The IUPAC name of N-(2-methoxyethyl)-3-[(2-propylpyrazol-3-yl)methylamino]propanamide (CID 114556095) is N-(2-methoxyethyl)-3-[(2-propylpyrazol-3-yl)methylamino]propanamide.
What is the SMILES notation for N-(2-methoxyethyl)-3-[(2-propylpyrazol-3-yl)methylamino]propanamide?
The canonical SMILES for N-(2-methoxyethyl)-3-[(2-propylpyrazol-3-yl)methylamino]propanamide is CCCn1nccc1CNCCC(=O)NCCOC.
What is the InChIKey of N-(2-methoxyethyl)-3-[(2-propylpyrazol-3-yl)methylamino]propanamide?
The InChIKey is SITYFBNFQFIYFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2/c1-3-9-17-12(4-7-16-17)11-14-6-5-13(18)15-8-10-19-2/h4,7,14H,3,5-6,8-11H2,1-2H3,(H,15,18).
What are the key properties of N-(2-methoxyethyl)-3-[(2-propylpyrazol-3-yl)methylamino]propanamide?
N-(2-methoxyethyl)-3-[(2-propylpyrazol-3-yl)methylamino]propanamide has a molecular weight of 268.36 g/mol, XLogP of 0.54, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-3-[(2-propylpyrazol-3-yl)methylamino]propanamide is sourced from PubChem (CID 114556095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).