1-(4-methoxy-1-propylpyrazol-5-yl)-N-methyl-1-(5-methylfuran-3-yl)methanamine

C14H21N3O2 — CID 105048721

IUPAC1-(4-methoxy-1-propylpyrazol-5-yl)-N-methyl-1-(5-methylfuran-3-yl)methanamine
SMILESCCCn1ncc(OC)c1C(NC)c1coc(C)c1
InChIInChI=1S/C14H21N3O2/c1-5-6-17-14(12(18-4)8-16-17)13(15-3)11-7-10(2)19-9-11/h7-9,13,15H,5-6H2,1-4H3
InChIKeyTUWAXZLBLLBACJ-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.51
Rot. Bonds6

About 1-(4-methoxy-1-propylpyrazol-5-yl)-N-methyl-1-(5-methylfuran-3-yl)methanamine

1-(4-methoxy-1-propylpyrazol-5-yl)-N-methyl-1-(5-methylfuran-3-yl)methanamine (PubChem CID 105048721) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-(4-methoxy-1-propylpyrazol-5-yl)-N-methyl-1-(5-methylfuran-3-yl)methanamine.

Molecular Properties

Compound Name1-(4-methoxy-1-propylpyrazol-5-yl)-N-methyl-1-(5-methylfuran-3-yl)methanamine
PubChem CID105048721
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name1-(4-methoxy-1-propylpyrazol-5-yl)-N-methyl-1-(5-methylfuran-3-yl)methanamine
SMILESCCCn1ncc(OC)c1C(NC)c1coc(C)c1
InChIInChI=1S/C14H21N3O2/c1-5-6-17-14(12(18-4)8-16-17)13(15-3)11-7-10(2)19-9-11/h7-9,13,15H,5-6H2,1-4H3
InChIKeyTUWAXZLBLLBACJ-UHFFFAOYSA-N
XLogP2.51
TPSA52.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-1-propylpyrazol-5-yl)-N-methyl-1-(5-methylfuran-3-yl)methanamine?
The IUPAC name of 1-(4-methoxy-1-propylpyrazol-5-yl)-N-methyl-1-(5-methylfuran-3-yl)methanamine (CID 105048721) is 1-(4-methoxy-1-propylpyrazol-5-yl)-N-methyl-1-(5-methylfuran-3-yl)methanamine.
What is the SMILES notation for 1-(4-methoxy-1-propylpyrazol-5-yl)-N-methyl-1-(5-methylfuran-3-yl)methanamine?
The canonical SMILES for 1-(4-methoxy-1-propylpyrazol-5-yl)-N-methyl-1-(5-methylfuran-3-yl)methanamine is CCCn1ncc(OC)c1C(NC)c1coc(C)c1.
What is the InChIKey of 1-(4-methoxy-1-propylpyrazol-5-yl)-N-methyl-1-(5-methylfuran-3-yl)methanamine?
The InChIKey is TUWAXZLBLLBACJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-5-6-17-14(12(18-4)8-16-17)13(15-3)11-7-10(2)19-9-11/h7-9,13,15H,5-6H2,1-4H3.
What are the key properties of 1-(4-methoxy-1-propylpyrazol-5-yl)-N-methyl-1-(5-methylfuran-3-yl)methanamine?
1-(4-methoxy-1-propylpyrazol-5-yl)-N-methyl-1-(5-methylfuran-3-yl)methanamine has a molecular weight of 263.34 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-1-propylpyrazol-5-yl)-N-methyl-1-(5-methylfuran-3-yl)methanamine is sourced from PubChem (CID 105048721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).