2-methyl-N-[[5-[(1-methylpyrazol-4-yl)oxymethyl]furan-3-yl]methyl]propan-1-amine

C14H21N3O2 — CID 116793496

IUPAC2-methyl-N-[[5-[(1-methylpyrazol-4-yl)oxymethyl]furan-3-yl]methyl]propan-1-amine
SMILESCC(C)CNCc1coc(COc2cnn(C)c2)c1
InChIInChI=1S/C14H21N3O2/c1-11(2)5-15-6-12-4-13(18-9-12)10-19-14-7-16-17(3)8-14/h4,7-9,11,15H,5-6,10H2,1-3H3
InChIKeyZDQHPUZGPLFVHV-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.34
Rot. Bonds7

About 2-methyl-N-[[5-[(1-methylpyrazol-4-yl)oxymethyl]furan-3-yl]methyl]propan-1-amine

2-methyl-N-[[5-[(1-methylpyrazol-4-yl)oxymethyl]furan-3-yl]methyl]propan-1-amine (PubChem CID 116793496) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-methyl-N-[[5-[(1-methylpyrazol-4-yl)oxymethyl]furan-3-yl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[5-[(1-methylpyrazol-4-yl)oxymethyl]furan-3-yl]methyl]propan-1-amine
PubChem CID116793496
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name2-methyl-N-[[5-[(1-methylpyrazol-4-yl)oxymethyl]furan-3-yl]methyl]propan-1-amine
SMILESCC(C)CNCc1coc(COc2cnn(C)c2)c1
InChIInChI=1S/C14H21N3O2/c1-11(2)5-15-6-12-4-13(18-9-12)10-19-14-7-16-17(3)8-14/h4,7-9,11,15H,5-6,10H2,1-3H3
InChIKeyZDQHPUZGPLFVHV-UHFFFAOYSA-N
XLogP2.34
TPSA52.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-methyl-N-[[5-[(1-methylpyrazol-4-yl)oxymethyl]furan-3-yl]methyl]propan-1-amine with MolForge

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Related Compounds

2-methyl-N-[[5-[(4-methylphenoxy)methyl]furan-3-yl]methyl]propan-1-amine
CID 62451987
N-[[5-[(4-bromophenoxy)methyl]furan-3-yl]methyl]-2-methylpropan-1-amine
CID 62453015
2-methyl-N-[[5-[(4-methylpyrazol-1-yl)methyl]furan-3-yl]methyl]propan-1-amine
CID 55073179
N-[[5-[(1-propylpyrazol-4-yl)oxymethyl]furan-3-yl]methyl]cyclopropanamine
CID 116803383
N-[[5-[(4,4-dimethylcyclohexyl)oxymethyl]furan-3-yl]methyl]-2-methylpropan-1-amine
CID 114342453
N-[[5-[(2,4-dichlorophenoxy)methyl]furan-3-yl]methyl]-2-methylpropan-1-amine
CID 63498761
N-[[5-[(3,4-dimethylcyclohexyl)oxymethyl]furan-3-yl]methyl]-2-methylpropan-1-amine
CID 64739134
N-[[5-[(2-bromo-4-chlorophenoxy)methyl]furan-3-yl]methyl]-2-methylpropan-1-amine
CID 63497529
2-methyl-N-[[5-(1-phenylethoxymethyl)furan-3-yl]methyl]propan-1-amine
CID 62443435
N-[[5-(1-ethoxypropan-2-yloxymethyl)furan-3-yl]methyl]-2-methylpropan-1-amine
CID 103490491
2-methyl-N-[[2-(1-methylpyrazol-4-yl)pyrimidin-5-yl]methyl]propan-1-amine
CID 65197740
4-(furan-2-ylmethoxy)-1-methylpyrazole
CID 116794087

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[5-[(1-methylpyrazol-4-yl)oxymethyl]furan-3-yl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[5-[(1-methylpyrazol-4-yl)oxymethyl]furan-3-yl]methyl]propan-1-amine (CID 116793496) is 2-methyl-N-[[5-[(1-methylpyrazol-4-yl)oxymethyl]furan-3-yl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[5-[(1-methylpyrazol-4-yl)oxymethyl]furan-3-yl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[5-[(1-methylpyrazol-4-yl)oxymethyl]furan-3-yl]methyl]propan-1-amine is CC(C)CNCc1coc(COc2cnn(C)c2)c1.
What is the InChIKey of 2-methyl-N-[[5-[(1-methylpyrazol-4-yl)oxymethyl]furan-3-yl]methyl]propan-1-amine?
The InChIKey is ZDQHPUZGPLFVHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-11(2)5-15-6-12-4-13(18-9-12)10-19-14-7-16-17(3)8-14/h4,7-9,11,15H,5-6,10H2,1-3H3.
What are the key properties of 2-methyl-N-[[5-[(1-methylpyrazol-4-yl)oxymethyl]furan-3-yl]methyl]propan-1-amine?
2-methyl-N-[[5-[(1-methylpyrazol-4-yl)oxymethyl]furan-3-yl]methyl]propan-1-amine has a molecular weight of 263.34 g/mol, XLogP of 2.34, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[5-[(1-methylpyrazol-4-yl)oxymethyl]furan-3-yl]methyl]propan-1-amine is sourced from PubChem (CID 116793496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).