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

C13H19N3O2 — CID 116803528

IUPAC[5-methyl-4-[(1-propylpyrazol-4-yl)oxymethyl]furan-2-yl]methanamine
SMILESCCCn1cc(OCc2cc(CN)oc2C)cn1
InChIInChI=1S/C13H19N3O2/c1-3-4-16-8-13(7-15-16)17-9-11-5-12(6-14)18-10(11)2/h5,7-8H,3-4,6,9,14H2,1-2H3
InChIKeyYZADCZVYNPYHNL-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.23
Rot. Bonds6

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

[5-methyl-4-[(1-propylpyrazol-4-yl)oxymethyl]furan-2-yl]methanamine (PubChem CID 116803528) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is [5-methyl-4-[(1-propylpyrazol-4-yl)oxymethyl]furan-2-yl]methanamine.

Molecular Properties

Compound Name[5-methyl-4-[(1-propylpyrazol-4-yl)oxymethyl]furan-2-yl]methanamine
PubChem CID116803528
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name[5-methyl-4-[(1-propylpyrazol-4-yl)oxymethyl]furan-2-yl]methanamine
SMILESCCCn1cc(OCc2cc(CN)oc2C)cn1
InChIInChI=1S/C13H19N3O2/c1-3-4-16-8-13(7-15-16)17-9-11-5-12(6-14)18-10(11)2/h5,7-8H,3-4,6,9,14H2,1-2H3
InChIKeyYZADCZVYNPYHNL-UHFFFAOYSA-N
XLogP2.23
TPSA66.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-methyl-5-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]furan-3-yl]methanamine
CID 116803596
2-ethyl-5-[(1-propylpyrazol-4-yl)oxymethyl]-1,3,4-oxadiazole
CID 116805111
[3-[(1-propylpyrazol-4-yl)oxymethyl]-1-benzofuran-2-yl]methanamine
CID 116803468
3-methyl-4-[(1-propylpyrazol-4-yl)oxymethyl]-1,2,5-oxadiazole
CID 116805089
N-methyl-1-[5-[(1-propylpyrazol-4-yl)oxymethyl]furan-2-yl]methanamine
CID 116803441
4-propoxy-1-propylpyrazole
CID 116805185
4-fluoro-2-[(1-propylpyrazol-4-yl)oxymethyl]benzonitrile
CID 107909495
5-methyl-4-[(1-propylpyrazol-4-yl)oxymethyl]thiophene-2-carboxylic acid
CID 116799971
2-methyl-N-[[5-[(1-propylpyrazol-4-yl)oxymethyl]-1,2-oxazol-3-yl]methyl]propan-2-amine
CID 116803459
2,2-dimethyl-3-(1-propylpyrazol-4-yl)oxypropan-1-amine
CID 116803544
3-chloro-4-[(1-propylpyrazol-4-yl)oxymethyl]benzamide
CID 102670696
[5-methyl-4-[(2-propoxyphenoxy)methyl]furan-2-yl]methanamine
CID 62449992

Frequently Asked Questions

What is the IUPAC name of [5-methyl-4-[(1-propylpyrazol-4-yl)oxymethyl]furan-2-yl]methanamine?
The IUPAC name of [5-methyl-4-[(1-propylpyrazol-4-yl)oxymethyl]furan-2-yl]methanamine (CID 116803528) is [5-methyl-4-[(1-propylpyrazol-4-yl)oxymethyl]furan-2-yl]methanamine.
What is the SMILES notation for [5-methyl-4-[(1-propylpyrazol-4-yl)oxymethyl]furan-2-yl]methanamine?
The canonical SMILES for [5-methyl-4-[(1-propylpyrazol-4-yl)oxymethyl]furan-2-yl]methanamine is CCCn1cc(OCc2cc(CN)oc2C)cn1.
What is the InChIKey of [5-methyl-4-[(1-propylpyrazol-4-yl)oxymethyl]furan-2-yl]methanamine?
The InChIKey is YZADCZVYNPYHNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-3-4-16-8-13(7-15-16)17-9-11-5-12(6-14)18-10(11)2/h5,7-8H,3-4,6,9,14H2,1-2H3.
What are the key properties of [5-methyl-4-[(1-propylpyrazol-4-yl)oxymethyl]furan-2-yl]methanamine?
[5-methyl-4-[(1-propylpyrazol-4-yl)oxymethyl]furan-2-yl]methanamine has a molecular weight of 249.31 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-4-[(1-propylpyrazol-4-yl)oxymethyl]furan-2-yl]methanamine is sourced from PubChem (CID 116803528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).