3-methoxy-N-[2-(4-methylpyrazol-1-yl)ethyl]propan-1-amine

C10H19N3O — CID 62565456

IUPAC3-methoxy-N-[2-(4-methylpyrazol-1-yl)ethyl]propan-1-amine
SMILESCOCCCNCCn1cc(C)cn1
InChIInChI=1S/C10H19N3O/c1-10-8-12-13(9-10)6-5-11-4-3-7-14-2/h8-9,11H,3-7H2,1-2H3
InChIKeyBIULRPIUCCFQPQ-UHFFFAOYSA-N
MW197.28 g/mol
LogP0.82
Rot. Bonds7

About 3-methoxy-N-[2-(4-methylpyrazol-1-yl)ethyl]propan-1-amine

3-methoxy-N-[2-(4-methylpyrazol-1-yl)ethyl]propan-1-amine (PubChem CID 62565456) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is 3-methoxy-N-[2-(4-methylpyrazol-1-yl)ethyl]propan-1-amine.

Molecular Properties

Compound Name3-methoxy-N-[2-(4-methylpyrazol-1-yl)ethyl]propan-1-amine
PubChem CID62565456
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name3-methoxy-N-[2-(4-methylpyrazol-1-yl)ethyl]propan-1-amine
SMILESCOCCCNCCn1cc(C)cn1
InChIInChI=1S/C10H19N3O/c1-10-8-12-13(9-10)6-5-11-4-3-7-14-2/h8-9,11H,3-7H2,1-2H3
InChIKeyBIULRPIUCCFQPQ-UHFFFAOYSA-N
XLogP0.82
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 50.82
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

3-(2-methoxyethoxy)-N-[2-(4-methylpyrazol-1-yl)ethyl]propan-1-amine
CID 114130438
N-(2-methoxyethyl)-2-(4-methylpyrazol-1-yl)ethanamine
CID 62565066
6-[2-(4-methylpyrazol-1-yl)ethylamino]hexan-1-ol
CID 103737929
N',N'-dimethyl-N-[2-(4-methylpyrazol-1-yl)ethyl]propane-1,3-diamine
CID 62565065
N-(2-butoxyethyl)-2-(4-methylpyrazol-1-yl)ethanamine
CID 62566750
N-(2-methoxyethyl)-N'-methyl-N'-[2-(4-methylpyrazol-1-yl)ethyl]ethane-1,2-diamine
CID 114279056
acetaldehyde;1-(2-methoxyethyl)-4-methylpyrazole
CID 144516291
1-[3-(2-methoxyethoxy)propyl]-2-methyl-3-[2-(4-methylpyrazol-1-yl)ethyl]guanidine;hydroiodide
CID 111768786
N,N-dimethyl-3-[2-(4-methylpyrazol-1-yl)ethylamino]propane-1-sulfonamide
CID 56780256
3-methoxy-N-[(1-propylpyrazol-4-yl)methyl]propan-1-amine;hydrochloride
CID 126966218
N-[(4-methylphenyl)methyl]-2-(4-methylpyrazol-1-yl)ethanamine
CID 103649741
N-(2-methoxyethyl)-2-(4-methylpyrazol-1-yl)acetamide
CID 19526602

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[2-(4-methylpyrazol-1-yl)ethyl]propan-1-amine?
The IUPAC name of 3-methoxy-N-[2-(4-methylpyrazol-1-yl)ethyl]propan-1-amine (CID 62565456) is 3-methoxy-N-[2-(4-methylpyrazol-1-yl)ethyl]propan-1-amine.
What is the SMILES notation for 3-methoxy-N-[2-(4-methylpyrazol-1-yl)ethyl]propan-1-amine?
The canonical SMILES for 3-methoxy-N-[2-(4-methylpyrazol-1-yl)ethyl]propan-1-amine is COCCCNCCn1cc(C)cn1.
What is the InChIKey of 3-methoxy-N-[2-(4-methylpyrazol-1-yl)ethyl]propan-1-amine?
The InChIKey is BIULRPIUCCFQPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-10-8-12-13(9-10)6-5-11-4-3-7-14-2/h8-9,11H,3-7H2,1-2H3.
What are the key properties of 3-methoxy-N-[2-(4-methylpyrazol-1-yl)ethyl]propan-1-amine?
3-methoxy-N-[2-(4-methylpyrazol-1-yl)ethyl]propan-1-amine has a molecular weight of 197.28 g/mol, XLogP of 0.82, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[2-(4-methylpyrazol-1-yl)ethyl]propan-1-amine is sourced from PubChem (CID 62565456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).