2-methyl-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-2-morpholin-4-ylbutan-1-amine

C18H28N4O2 — CID 86808720

IUPAC2-methyl-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-2-morpholin-4-ylbutan-1-amine
SMILESCCC(C)(CNCc1cn[nH]c1-c1ccc(C)o1)N1CCOCC1
InChIInChI=1S/C18H28N4O2/c1-4-18(3,22-7-9-23-10-8-22)13-19-11-15-12-20-21-17(15)16-6-5-14(2)24-16/h5-6,12,19H,4,7-11,13H2,1-3H3,(H,20,21)
InChIKeyUFHUFDMRMVWESV-UHFFFAOYSA-N
MW332.45 g/mol
LogP2.57
Rot. Bonds7

About 2-methyl-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-2-morpholin-4-ylbutan-1-amine

2-methyl-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-2-morpholin-4-ylbutan-1-amine (PubChem CID 86808720) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is 2-methyl-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-2-morpholin-4-ylbutan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-2-morpholin-4-ylbutan-1-amine
PubChem CID86808720
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC Name2-methyl-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-2-morpholin-4-ylbutan-1-amine
SMILESCCC(C)(CNCc1cn[nH]c1-c1ccc(C)o1)N1CCOCC1
InChIInChI=1S/C18H28N4O2/c1-4-18(3,22-7-9-23-10-8-22)13-19-11-15-12-20-21-17(15)16-6-5-14(2)24-16/h5-6,12,19H,4,7-11,13H2,1-3H3,(H,20,21)
InChIKeyUFHUFDMRMVWESV-UHFFFAOYSA-N
XLogP2.57
TPSA66.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-methyl-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-2-morpholin-4-ylbutan-1-amine with MolForge

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Related Compounds

(2R)-2-methyl-2-morpholin-4-yl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]butan-1-amine
CID 95148273
(2S)-2-methyl-2-morpholin-4-yl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]butan-1-amine
CID 38066242
2-methyl-1-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]butan-2-ol
CID 63680783
2,2-dimethyl-3-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]propanenitrile
CID 104587090
2,4,4-trimethyl-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]pentan-2-amine
CID 43788231
N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]butan-2-amine
CID 43756376
2-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-morpholin-4-ylpropan-1-amine
CID 43663587
2-methyl-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-3-(4-methylpiperazin-1-yl)propan-1-amine
CID 119122307
2-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]acetic acid
CID 43774244
1-(4-fluorophenyl)-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]methanamine
CID 43433346
2-methyl-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]but-3-yn-2-amine
CID 63997715
2,2-dimethoxy-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]ethanamine
CID 60817298

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-2-morpholin-4-ylbutan-1-amine?
The IUPAC name of 2-methyl-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-2-morpholin-4-ylbutan-1-amine (CID 86808720) is 2-methyl-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-2-morpholin-4-ylbutan-1-amine.
What is the SMILES notation for 2-methyl-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-2-morpholin-4-ylbutan-1-amine?
The canonical SMILES for 2-methyl-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-2-morpholin-4-ylbutan-1-amine is CCC(C)(CNCc1cn[nH]c1-c1ccc(C)o1)N1CCOCC1.
What is the InChIKey of 2-methyl-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-2-morpholin-4-ylbutan-1-amine?
The InChIKey is UFHUFDMRMVWESV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-4-18(3,22-7-9-23-10-8-22)13-19-11-15-12-20-21-17(15)16-6-5-14(2)24-16/h5-6,12,19H,4,7-11,13H2,1-3H3,(H,20,21).
What are the key properties of 2-methyl-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-2-morpholin-4-ylbutan-1-amine?
2-methyl-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-2-morpholin-4-ylbutan-1-amine has a molecular weight of 332.45 g/mol, XLogP of 2.57, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-2-morpholin-4-ylbutan-1-amine is sourced from PubChem (CID 86808720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).