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

C16H25N3O — CID 62443304

IUPAC2-methyl-N-[[2-[(3,4,5-trimethylpyrazol-1-yl)methyl]furan-3-yl]methyl]propan-2-amine
SMILESCc1nn(Cc2occc2CNC(C)(C)C)c(C)c1C
InChIInChI=1S/C16H25N3O/c1-11-12(2)18-19(13(11)3)10-15-14(7-8-20-15)9-17-16(4,5)6/h7-8,17H,9-10H2,1-6H3
InChIKeyWSOVKHRAEYJRAP-UHFFFAOYSA-N
MW275.40 g/mol
LogP3.34
Rot. Bonds4

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

2-methyl-N-[[2-[(3,4,5-trimethylpyrazol-1-yl)methyl]furan-3-yl]methyl]propan-2-amine (PubChem CID 62443304) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 2-methyl-N-[[2-[(3,4,5-trimethylpyrazol-1-yl)methyl]furan-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[2-[(3,4,5-trimethylpyrazol-1-yl)methyl]furan-3-yl]methyl]propan-2-amine
PubChem CID62443304
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name2-methyl-N-[[2-[(3,4,5-trimethylpyrazol-1-yl)methyl]furan-3-yl]methyl]propan-2-amine
SMILESCc1nn(Cc2occc2CNC(C)(C)C)c(C)c1C
InChIInChI=1S/C16H25N3O/c1-11-12(2)18-19(13(11)3)10-15-14(7-8-20-15)9-17-16(4,5)6/h7-8,17H,9-10H2,1-6H3
InChIKeyWSOVKHRAEYJRAP-UHFFFAOYSA-N
XLogP3.34
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[2-[(3,4,5-trimethylpyrazol-1-yl)methyl]furan-3-yl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[2-[(3,4,5-trimethylpyrazol-1-yl)methyl]furan-3-yl]methyl]propan-2-amine (CID 62443304) is 2-methyl-N-[[2-[(3,4,5-trimethylpyrazol-1-yl)methyl]furan-3-yl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[2-[(3,4,5-trimethylpyrazol-1-yl)methyl]furan-3-yl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[2-[(3,4,5-trimethylpyrazol-1-yl)methyl]furan-3-yl]methyl]propan-2-amine is Cc1nn(Cc2occc2CNC(C)(C)C)c(C)c1C.
What is the InChIKey of 2-methyl-N-[[2-[(3,4,5-trimethylpyrazol-1-yl)methyl]furan-3-yl]methyl]propan-2-amine?
The InChIKey is WSOVKHRAEYJRAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-11-12(2)18-19(13(11)3)10-15-14(7-8-20-15)9-17-16(4,5)6/h7-8,17H,9-10H2,1-6H3.
What are the key properties of 2-methyl-N-[[2-[(3,4,5-trimethylpyrazol-1-yl)methyl]furan-3-yl]methyl]propan-2-amine?
2-methyl-N-[[2-[(3,4,5-trimethylpyrazol-1-yl)methyl]furan-3-yl]methyl]propan-2-amine has a molecular weight of 275.40 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[2-[(3,4,5-trimethylpyrazol-1-yl)methyl]furan-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 62443304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).