N-(3-methoxypropyl)-2-[(1-methylpyrazol-3-yl)methylamino]propanamide

C12H22N4O2 — CID 82882044

IUPACN-(3-methoxypropyl)-2-[(1-methylpyrazol-3-yl)methylamino]propanamide
SMILESCOCCCNC(=O)C(C)NCc1ccn(C)n1
InChIInChI=1S/C12H22N4O2/c1-10(12(17)13-6-4-8-18-3)14-9-11-5-7-16(2)15-11/h5,7,10,14H,4,6,8-9H2,1-3H3,(H,13,17)
InChIKeyVGDIKONMRAPLMJ-UHFFFAOYSA-N
MW254.33 g/mol
LogP0.05
Rot. Bonds8

About N-(3-methoxypropyl)-2-[(1-methylpyrazol-3-yl)methylamino]propanamide

N-(3-methoxypropyl)-2-[(1-methylpyrazol-3-yl)methylamino]propanamide (PubChem CID 82882044) has the molecular formula C12H22N4O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is N-(3-methoxypropyl)-2-[(1-methylpyrazol-3-yl)methylamino]propanamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-2-[(1-methylpyrazol-3-yl)methylamino]propanamide
PubChem CID82882044
Molecular FormulaC12H22N4O2
Molecular Weight254.33 g/mol
Exact Mass254.17
IUPAC NameN-(3-methoxypropyl)-2-[(1-methylpyrazol-3-yl)methylamino]propanamide
SMILESCOCCCNC(=O)C(C)NCc1ccn(C)n1
InChIInChI=1S/C12H22N4O2/c1-10(12(17)13-6-4-8-18-3)14-9-11-5-7-16(2)15-11/h5,7,10,14H,4,6,8-9H2,1-3H3,(H,13,17)
InChIKeyVGDIKONMRAPLMJ-UHFFFAOYSA-N
XLogP0.05
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.05
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

2-methoxy-N-[(1-methylpyrazol-3-yl)methyl]propanamide
CID 115870664
N-(3-methoxypropyl)-2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]propanamide
CID 66194740
2-(3-aminopyrazol-1-yl)-N-(3-methoxypropyl)propanamide
CID 60783044
N-(3-methoxypropyl)-2-(1,2,4-oxadiazol-3-ylmethylamino)propanamide
CID 106398768
2-bromo-N-[(1-methylpyrazol-3-yl)methyl]propanamide
CID 107905639
2-ethyl-N-[(1-methylpyrazol-3-yl)methyl]butanamide
CID 19329164
3-methyl-2-[(1-methylpyrazol-3-yl)methylamino]butanoic acid
CID 82869167
2-methyl-3-[(1-methylpyrazol-3-yl)methylamino]-3-oxopropanoic acid
CID 114898886
4-methoxy-2-[(1-methylpyrazol-3-yl)methylcarbamoylamino]butanoic acid
CID 82873698
2-[(2,5-dimethylpyrrol-1-yl)amino]-N-(3-methoxypropyl)propanamide
CID 79099906
(2S)-2-amino-3-methyl-N-[(1-methylpyrazol-3-yl)methyl]butanamide
CID 82882870
3-[(1-methylpyrazol-3-yl)methylamino]butan-2-ol
CID 82882501

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-2-[(1-methylpyrazol-3-yl)methylamino]propanamide?
The IUPAC name of N-(3-methoxypropyl)-2-[(1-methylpyrazol-3-yl)methylamino]propanamide (CID 82882044) is N-(3-methoxypropyl)-2-[(1-methylpyrazol-3-yl)methylamino]propanamide.
What is the SMILES notation for N-(3-methoxypropyl)-2-[(1-methylpyrazol-3-yl)methylamino]propanamide?
The canonical SMILES for N-(3-methoxypropyl)-2-[(1-methylpyrazol-3-yl)methylamino]propanamide is COCCCNC(=O)C(C)NCc1ccn(C)n1.
What is the InChIKey of N-(3-methoxypropyl)-2-[(1-methylpyrazol-3-yl)methylamino]propanamide?
The InChIKey is VGDIKONMRAPLMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2/c1-10(12(17)13-6-4-8-18-3)14-9-11-5-7-16(2)15-11/h5,7,10,14H,4,6,8-9H2,1-3H3,(H,13,17).
What are the key properties of N-(3-methoxypropyl)-2-[(1-methylpyrazol-3-yl)methylamino]propanamide?
N-(3-methoxypropyl)-2-[(1-methylpyrazol-3-yl)methylamino]propanamide has a molecular weight of 254.33 g/mol, XLogP of 0.05, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-2-[(1-methylpyrazol-3-yl)methylamino]propanamide is sourced from PubChem (CID 82882044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).