N-(2-methoxyethyl)-2-pyrazol-1-ylpropan-1-amine

C9H17N3O — CID 62564505

IUPACN-(2-methoxyethyl)-2-pyrazol-1-ylpropan-1-amine
SMILESCOCCNCC(C)n1cccn1
InChIInChI=1S/C9H17N3O/c1-9(8-10-5-7-13-2)12-6-3-4-11-12/h3-4,6,9-10H,5,7-8H2,1-2H3
InChIKeySRWVBKNNHCKTRB-UHFFFAOYSA-N
MW183.25 g/mol
LogP0.68
Rot. Bonds6

About N-(2-methoxyethyl)-2-pyrazol-1-ylpropan-1-amine

N-(2-methoxyethyl)-2-pyrazol-1-ylpropan-1-amine (PubChem CID 62564505) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-pyrazol-1-ylpropan-1-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-pyrazol-1-ylpropan-1-amine
PubChem CID62564505
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC NameN-(2-methoxyethyl)-2-pyrazol-1-ylpropan-1-amine
SMILESCOCCNCC(C)n1cccn1
InChIInChI=1S/C9H17N3O/c1-9(8-10-5-7-13-2)12-6-3-4-11-12/h3-4,6,9-10H,5,7-8H2,1-2H3
InChIKeySRWVBKNNHCKTRB-UHFFFAOYSA-N
XLogP0.68
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.68
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

1-(1H-pyrazol-1-yl)propan-2-amine
CID 6483888
1-(2-Methoxyethyl)-1H-pyrazole
CID 21859716
3-(1H-pyrazol-1-yl)butan-2-amine
CID 16641631
1-amino-3-(1H-pyrazol-1-yl)propan-2-ol
CID 16782636
N-Methyl-1H-pyrazole-1-ethanamine
CID 23006101
1-(2-methoxyethyl)-1H-pyrazol-4-amine
CID 42281885
Morpholine, 2-(1H-pyrazol-1-ylmethyl)-
CID 54592633
1-(Oxetan-3-yl)pyrazol-4-amine
CID 67458207
4-(2-methoxyethyl)-N-(1-pyrazol-1-ylpropan-2-yl)-1,4-diazepane-1-carboxamide
CID 53504787
4-(2-(1H-Pyrazol-1-YL)ethyl)morpholine
CID 46739602
(2-methoxyethyl)[(1-methyl-1H-pyrazol-5-yl)methyl]amine
CID 43663120
(2-methoxyethyl)[(1-methyl-1H-pyrazol-4-yl)methyl]amine dihydrochloride
CID 165994202

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-pyrazol-1-ylpropan-1-amine?
The IUPAC name of N-(2-methoxyethyl)-2-pyrazol-1-ylpropan-1-amine (CID 62564505) is N-(2-methoxyethyl)-2-pyrazol-1-ylpropan-1-amine.
What is the SMILES notation for N-(2-methoxyethyl)-2-pyrazol-1-ylpropan-1-amine?
The canonical SMILES for N-(2-methoxyethyl)-2-pyrazol-1-ylpropan-1-amine is COCCNCC(C)n1cccn1.
What is the InChIKey of N-(2-methoxyethyl)-2-pyrazol-1-ylpropan-1-amine?
The InChIKey is SRWVBKNNHCKTRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O/c1-9(8-10-5-7-13-2)12-6-3-4-11-12/h3-4,6,9-10H,5,7-8H2,1-2H3.
What are the key properties of N-(2-methoxyethyl)-2-pyrazol-1-ylpropan-1-amine?
N-(2-methoxyethyl)-2-pyrazol-1-ylpropan-1-amine has a molecular weight of 183.25 g/mol, XLogP of 0.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-pyrazol-1-ylpropan-1-amine is sourced from PubChem (CID 62564505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).