3-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]-2-phenylbutan-1-amine

C17H25N3 — CID 107876456

IUPAC3-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]-2-phenylbutan-1-amine
SMILESCC(C)C(CNCCc1ccnn1C)c1ccccc1
InChIInChI=1S/C17H25N3/c1-14(2)17(15-7-5-4-6-8-15)13-18-11-9-16-10-12-19-20(16)3/h4-8,10,12,14,17-18H,9,11,13H2,1-3H3
InChIKeyPOAOWOMADFGDPN-UHFFFAOYSA-N
MW271.41 g/mol
LogP2.99
Rot. Bonds7

About 3-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]-2-phenylbutan-1-amine

3-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]-2-phenylbutan-1-amine (PubChem CID 107876456) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is 3-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]-2-phenylbutan-1-amine.

Molecular Properties

Compound Name3-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]-2-phenylbutan-1-amine
PubChem CID107876456
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC Name3-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]-2-phenylbutan-1-amine
SMILESCC(C)C(CNCCc1ccnn1C)c1ccccc1
InChIInChI=1S/C17H25N3/c1-14(2)17(15-7-5-4-6-8-15)13-18-11-9-16-10-12-19-20(16)3/h4-8,10,12,14,17-18H,9,11,13H2,1-3H3
InChIKeyPOAOWOMADFGDPN-UHFFFAOYSA-N
XLogP2.99
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2-methylpyrazol-3-yl)ethyl]-1-phenylethanamine
CID 113442203
3-methyl-2-phenyl-N-(2-pyridin-4-ylethyl)butan-1-amine
CID 107876015
N-[2-(2-methylpyrazol-3-yl)ethyl]-4-phenylbutan-2-amine
CID 104693843
2-(2-methylpyrazol-3-yl)-N-(2-propan-2-yloxyethyl)ethanamine
CID 103002048
3-ethyl-1-[2-(2-methylpyrazol-3-yl)ethylamino]pentan-2-ol
CID 114168416
2-methoxy-N-[2-(2-methylpyrazol-3-yl)ethyl]-1-phenylethanamine
CID 103464752
3-methyl-2-phenyl-N-[3-(triazol-1-yl)propyl]butan-1-amine
CID 107876383
4-bromo-N-[2-(2-methylpyrazol-3-yl)ethyl]butan-1-amine
CID 106844750
1-(2-methylpyrazol-3-yl)-4-phenylpentan-3-ol
CID 103006232
2-[2-(2-methylpyrazol-3-yl)ethylamino]-N-propan-2-ylacetamide
CID 103000916
(1R)-1-(3-methylphenyl)-N-[2-(2-methylpyrazol-3-yl)ethyl]ethanamine
CID 103001774
N-methyl-5-(2-methylpyrazol-3-yl)-2-phenylpentan-1-amine
CID 103019984

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]-2-phenylbutan-1-amine?
The IUPAC name of 3-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]-2-phenylbutan-1-amine (CID 107876456) is 3-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]-2-phenylbutan-1-amine.
What is the SMILES notation for 3-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]-2-phenylbutan-1-amine?
The canonical SMILES for 3-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]-2-phenylbutan-1-amine is CC(C)C(CNCCc1ccnn1C)c1ccccc1.
What is the InChIKey of 3-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]-2-phenylbutan-1-amine?
The InChIKey is POAOWOMADFGDPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-14(2)17(15-7-5-4-6-8-15)13-18-11-9-16-10-12-19-20(16)3/h4-8,10,12,14,17-18H,9,11,13H2,1-3H3.
What are the key properties of 3-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]-2-phenylbutan-1-amine?
3-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]-2-phenylbutan-1-amine has a molecular weight of 271.41 g/mol, XLogP of 2.99, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]-2-phenylbutan-1-amine is sourced from PubChem (CID 107876456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).