N-methyl-1-[5-[(1-propylpyrazol-4-yl)oxymethyl]furan-2-yl]methanamine

C13H19N3O2 — CID 116803441

IUPACN-methyl-1-[5-[(1-propylpyrazol-4-yl)oxymethyl]furan-2-yl]methanamine
SMILESCCCn1cc(OCc2ccc(CNC)o2)cn1
InChIInChI=1S/C13H19N3O2/c1-3-6-16-9-13(8-15-16)17-10-12-5-4-11(18-12)7-14-2/h4-5,8-9,14H,3,6-7,10H2,1-2H3
InChIKeyPWOVTBZVVJMZSH-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.18
Rot. Bonds7

About N-methyl-1-[5-[(1-propylpyrazol-4-yl)oxymethyl]furan-2-yl]methanamine

N-methyl-1-[5-[(1-propylpyrazol-4-yl)oxymethyl]furan-2-yl]methanamine (PubChem CID 116803441) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is N-methyl-1-[5-[(1-propylpyrazol-4-yl)oxymethyl]furan-2-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[5-[(1-propylpyrazol-4-yl)oxymethyl]furan-2-yl]methanamine
PubChem CID116803441
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC NameN-methyl-1-[5-[(1-propylpyrazol-4-yl)oxymethyl]furan-2-yl]methanamine
SMILESCCCn1cc(OCc2ccc(CNC)o2)cn1
InChIInChI=1S/C13H19N3O2/c1-3-6-16-9-13(8-15-16)17-10-12-5-4-11(18-12)7-14-2/h4-5,8-9,14H,3,6-7,10H2,1-2H3
InChIKeyPWOVTBZVVJMZSH-UHFFFAOYSA-N
XLogP2.18
TPSA52.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-[[5-[(1-propylpyrazol-4-yl)oxymethyl]-1,2-oxazol-3-yl]methyl]propan-2-amine
CID 116803459
2-ethyl-5-[(1-propylpyrazol-4-yl)oxymethyl]-1,3,4-oxadiazole
CID 116805111
4-propoxy-1-propylpyrazole
CID 116805185
1-ethyl-4-[(5-nitrofuran-2-yl)methoxy]pyrazole
CID 116804690
N-[[5-[(1-propylpyrazol-4-yl)oxymethyl]furan-3-yl]methyl]cyclopropanamine
CID 116803383
[5-methyl-4-[(1-propylpyrazol-4-yl)oxymethyl]furan-2-yl]methanamine
CID 116803528
1-[5-[(3,5-dimethylphenoxy)methyl]furan-2-yl]-N-methylmethanamine
CID 62453412
2-(1-propylpyrazol-4-yl)oxyacetonitrile
CID 116805140
3-methyl-4-[(1-propylpyrazol-4-yl)oxymethyl]-1,2,5-oxadiazole
CID 116805089
1-[5-[(3,5-difluorophenoxy)methyl]furan-2-yl]-N-methylmethanamine
CID 62783791
2-(4-ethoxypyrazol-1-yl)-N-methylethanamine
CID 117125349
[3-[(1-propylpyrazol-4-yl)oxymethyl]-1-benzofuran-2-yl]methanamine
CID 116803468

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-[(1-propylpyrazol-4-yl)oxymethyl]furan-2-yl]methanamine?
The IUPAC name of N-methyl-1-[5-[(1-propylpyrazol-4-yl)oxymethyl]furan-2-yl]methanamine (CID 116803441) is N-methyl-1-[5-[(1-propylpyrazol-4-yl)oxymethyl]furan-2-yl]methanamine.
What is the SMILES notation for N-methyl-1-[5-[(1-propylpyrazol-4-yl)oxymethyl]furan-2-yl]methanamine?
The canonical SMILES for N-methyl-1-[5-[(1-propylpyrazol-4-yl)oxymethyl]furan-2-yl]methanamine is CCCn1cc(OCc2ccc(CNC)o2)cn1.
What is the InChIKey of N-methyl-1-[5-[(1-propylpyrazol-4-yl)oxymethyl]furan-2-yl]methanamine?
The InChIKey is PWOVTBZVVJMZSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-3-6-16-9-13(8-15-16)17-10-12-5-4-11(18-12)7-14-2/h4-5,8-9,14H,3,6-7,10H2,1-2H3.
What are the key properties of N-methyl-1-[5-[(1-propylpyrazol-4-yl)oxymethyl]furan-2-yl]methanamine?
N-methyl-1-[5-[(1-propylpyrazol-4-yl)oxymethyl]furan-2-yl]methanamine has a molecular weight of 249.31 g/mol, XLogP of 2.18, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[5-[(1-propylpyrazol-4-yl)oxymethyl]furan-2-yl]methanamine is sourced from PubChem (CID 116803441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).