3-ethyl-1-methyl-N-(3-phenoxypropyl)pyrazol-4-amine

C15H21N3O — CID 107462816

IUPAC3-ethyl-1-methyl-N-(3-phenoxypropyl)pyrazol-4-amine
SMILESCCc1nn(C)cc1NCCCOc1ccccc1
InChIInChI=1S/C15H21N3O/c1-3-14-15(12-18(2)17-14)16-10-7-11-19-13-8-5-4-6-9-13/h4-6,8-9,12,16H,3,7,10-11H2,1-2H3
InChIKeyXGANSWOHAOJSAZ-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.86
Rot. Bonds7

About 3-ethyl-1-methyl-N-(3-phenoxypropyl)pyrazol-4-amine

3-ethyl-1-methyl-N-(3-phenoxypropyl)pyrazol-4-amine (PubChem CID 107462816) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 3-ethyl-1-methyl-N-(3-phenoxypropyl)pyrazol-4-amine.

Molecular Properties

Compound Name3-ethyl-1-methyl-N-(3-phenoxypropyl)pyrazol-4-amine
PubChem CID107462816
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name3-ethyl-1-methyl-N-(3-phenoxypropyl)pyrazol-4-amine
SMILESCCc1nn(C)cc1NCCCOc1ccccc1
InChIInChI=1S/C15H21N3O/c1-3-14-15(12-18(2)17-14)16-10-7-11-19-13-8-5-4-6-9-13/h4-6,8-9,12,16H,3,7,10-11H2,1-2H3
InChIKeyXGANSWOHAOJSAZ-UHFFFAOYSA-N
XLogP2.86
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.86
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-ethyl-1-methyl-N-(3-phenylpropyl)pyrazol-4-amine
CID 107462469
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-phenoxyethanamine
CID 112549164
3-ethyl-1-methyl-N-pentylpyrazol-4-amine
CID 107462468
4-[(3-ethyl-1-methylpyrazol-4-yl)amino]butan-1-ol
CID 107462832
3-ethyl-N-[2-(2-methoxyethoxy)ethyl]-1-methylpyrazol-4-amine
CID 107462838
5,6-diethyl-N-(3-phenoxypropyl)-1,2,4-triazin-3-amine
CID 105362593
3-ethyl-1-methyl-N-[2-(3-methylbutoxy)ethyl]pyrazol-4-amine
CID 107462730
N-(2,2-dimethylpropyl)-3-ethyl-1-methylpyrazol-4-amine
CID 115898031
N-[(2-chlorophenyl)methyl]-3-ethyl-1-methylpyrazol-4-amine
CID 103909171
5-ethyl-4-N-(3-phenoxypropyl)pyrimidine-4,6-diamine
CID 80826774
2-N,2-N-dimethyl-1-N-(3-phenoxypropyl)benzene-1,2-diamine
CID 106759609
N-[(2,5-dimethoxyphenyl)methyl]-3-ethyl-1-methylpyrazol-4-amine
CID 103909000

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-methyl-N-(3-phenoxypropyl)pyrazol-4-amine?
The IUPAC name of 3-ethyl-1-methyl-N-(3-phenoxypropyl)pyrazol-4-amine (CID 107462816) is 3-ethyl-1-methyl-N-(3-phenoxypropyl)pyrazol-4-amine.
What is the SMILES notation for 3-ethyl-1-methyl-N-(3-phenoxypropyl)pyrazol-4-amine?
The canonical SMILES for 3-ethyl-1-methyl-N-(3-phenoxypropyl)pyrazol-4-amine is CCc1nn(C)cc1NCCCOc1ccccc1.
What is the InChIKey of 3-ethyl-1-methyl-N-(3-phenoxypropyl)pyrazol-4-amine?
The InChIKey is XGANSWOHAOJSAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-3-14-15(12-18(2)17-14)16-10-7-11-19-13-8-5-4-6-9-13/h4-6,8-9,12,16H,3,7,10-11H2,1-2H3.
What are the key properties of 3-ethyl-1-methyl-N-(3-phenoxypropyl)pyrazol-4-amine?
3-ethyl-1-methyl-N-(3-phenoxypropyl)pyrazol-4-amine has a molecular weight of 259.35 g/mol, XLogP of 2.86, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-methyl-N-(3-phenoxypropyl)pyrazol-4-amine is sourced from PubChem (CID 107462816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).