3-ethenoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propan-1-amine

C10H17N3O — CID 43663684

IUPAC3-ethenoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propan-1-amine
SMILESC=COCCCNCc1cn[nH]c1C
InChIInChI=1S/C10H17N3O/c1-3-14-6-4-5-11-7-10-8-12-13-9(10)2/h3,8,11H,1,4-7H2,2H3,(H,12,13)
InChIKeyNUBKXFRECUOHBT-UHFFFAOYSA-N
MW195.27 g/mol
LogP1.36
Rot. Bonds7

About 3-ethenoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propan-1-amine

3-ethenoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propan-1-amine (PubChem CID 43663684) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 3-ethenoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name3-ethenoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propan-1-amine
PubChem CID43663684
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name3-ethenoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propan-1-amine
SMILESC=COCCCNCc1cn[nH]c1C
InChIInChI=1S/C10H17N3O/c1-3-14-6-4-5-11-7-10-8-12-13-9(10)2/h3,8,11H,1,4-7H2,2H3,(H,12,13)
InChIKeyNUBKXFRECUOHBT-UHFFFAOYSA-N
XLogP1.36
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(5-methyl-1H-pyrazol-4-yl)methyl]heptan-1-amine
CID 61004281
5,5,5-trifluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pentan-1-amine
CID 115491490
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-5-methylsulfanylpentan-1-amine
CID 104923072
N-[(2,4-dimethylphenyl)methyl]-3-ethenoxypropan-1-amine
CID 28725701
2-[(5-methyl-1H-pyrazol-4-yl)methylamino]ethyl carbamate
CID 83210014
3-cyclopentyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propan-1-amine
CID 103622795
2-[(3-ethenoxypropylamino)methyl]phenol
CID 28725894
3,3,3-trifluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propan-1-amine
CID 63226414
2-[2-[(5-methyl-1H-pyrazol-4-yl)methylamino]ethoxy]acetamide
CID 106236062
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-pyrazol-1-ylpropan-1-amine;hydrochloride
CID 86808903
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-(2,2,3,3-tetramethylcyclopropyl)methanamine
CID 79353437
N-benzyl-3-ethenoxypropan-1-amine
CID 43183138

Frequently Asked Questions

What is the IUPAC name of 3-ethenoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propan-1-amine?
The IUPAC name of 3-ethenoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propan-1-amine (CID 43663684) is 3-ethenoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propan-1-amine.
What is the SMILES notation for 3-ethenoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propan-1-amine?
The canonical SMILES for 3-ethenoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propan-1-amine is C=COCCCNCc1cn[nH]c1C.
What is the InChIKey of 3-ethenoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propan-1-amine?
The InChIKey is NUBKXFRECUOHBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-3-14-6-4-5-11-7-10-8-12-13-9(10)2/h3,8,11H,1,4-7H2,2H3,(H,12,13).
What are the key properties of 3-ethenoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propan-1-amine?
3-ethenoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propan-1-amine has a molecular weight of 195.27 g/mol, XLogP of 1.36, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propan-1-amine is sourced from PubChem (CID 43663684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).