(E)-N-ethyl-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-3-(furan-2-yl)-2-methylprop-2-en-1-amine

C18H27N3O — CID 46984052

IUPAC(E)-N-ethyl-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-3-(furan-2-yl)-2-methylprop-2-en-1-amine
SMILESCCN(C/C(C)=C/c1ccco1)Cc1c(C)nn(CC)c1C
InChIInChI=1S/C18H27N3O/c1-6-20(12-14(3)11-17-9-8-10-22-17)13-18-15(4)19-21(7-2)16(18)5/h8-11H,6-7,12-13H2,1-5H3/b14-11+
InChIKeyIUUOPLBPKSGUQO-SDNWHVSQSA-N
MW301.43 g/mol
LogP4.04
Rot. Bonds7

About (E)-N-ethyl-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-3-(furan-2-yl)-2-methylprop-2-en-1-amine

(E)-N-ethyl-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-3-(furan-2-yl)-2-methylprop-2-en-1-amine (PubChem CID 46984052) has the molecular formula C18H27N3O and a molecular weight of 301.43 g/mol. Its IUPAC name is (E)-N-ethyl-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-3-(furan-2-yl)-2-methylprop-2-en-1-amine.

Molecular Properties

Compound Name(E)-N-ethyl-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-3-(furan-2-yl)-2-methylprop-2-en-1-amine
PubChem CID46984052
Molecular FormulaC18H27N3O
Molecular Weight301.43 g/mol
Exact Mass301.22
IUPAC Name(E)-N-ethyl-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-3-(furan-2-yl)-2-methylprop-2-en-1-amine
SMILESCCN(C/C(C)=C/c1ccco1)Cc1c(C)nn(CC)c1C
InChIInChI=1S/C18H27N3O/c1-6-20(12-14(3)11-17-9-8-10-22-17)13-18-15(4)19-21(7-2)16(18)5/h8-11H,6-7,12-13H2,1-5H3/b14-11+
InChIKeyIUUOPLBPKSGUQO-SDNWHVSQSA-N
XLogP4.04
TPSA34.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (E)-N-ethyl-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-3-(furan-2-yl)-2-methylprop-2-en-1-amine?
The IUPAC name of (E)-N-ethyl-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-3-(furan-2-yl)-2-methylprop-2-en-1-amine (CID 46984052) is (E)-N-ethyl-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-3-(furan-2-yl)-2-methylprop-2-en-1-amine.
What is the SMILES notation for (E)-N-ethyl-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-3-(furan-2-yl)-2-methylprop-2-en-1-amine?
The canonical SMILES for (E)-N-ethyl-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-3-(furan-2-yl)-2-methylprop-2-en-1-amine is CCN(C/C(C)=C/c1ccco1)Cc1c(C)nn(CC)c1C.
What is the InChIKey of (E)-N-ethyl-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-3-(furan-2-yl)-2-methylprop-2-en-1-amine?
The InChIKey is IUUOPLBPKSGUQO-SDNWHVSQSA-N. The full InChI is InChI=1S/C18H27N3O/c1-6-20(12-14(3)11-17-9-8-10-22-17)13-18-15(4)19-21(7-2)16(18)5/h8-11H,6-7,12-13H2,1-5H3/b14-11+.
What are the key properties of (E)-N-ethyl-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-3-(furan-2-yl)-2-methylprop-2-en-1-amine?
(E)-N-ethyl-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-3-(furan-2-yl)-2-methylprop-2-en-1-amine has a molecular weight of 301.43 g/mol, XLogP of 4.04, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-ethyl-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-3-(furan-2-yl)-2-methylprop-2-en-1-amine is sourced from PubChem (CID 46984052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).