N-methyl-N-[[2-(5-methylfuran-2-yl)phenyl]methyl]-3-pyrazol-1-ylpropan-1-amine

C19H23N3O — CID 77095551

IUPACN-methyl-N-[[2-(5-methylfuran-2-yl)phenyl]methyl]-3-pyrazol-1-ylpropan-1-amine
SMILESCc1ccc(-c2ccccc2CN(C)CCCn2cccn2)o1
InChIInChI=1S/C19H23N3O/c1-16-9-10-19(23-16)18-8-4-3-7-17(18)15-21(2)12-6-14-22-13-5-11-20-22/h3-5,7-11,13H,6,12,14-15H2,1-2H3
InChIKeyWIPNFGIJDSWQNX-UHFFFAOYSA-N
MW309.41 g/mol
LogP3.97
Rot. Bonds7

About N-methyl-N-[[2-(5-methylfuran-2-yl)phenyl]methyl]-3-pyrazol-1-ylpropan-1-amine

N-methyl-N-[[2-(5-methylfuran-2-yl)phenyl]methyl]-3-pyrazol-1-ylpropan-1-amine (PubChem CID 77095551) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is N-methyl-N-[[2-(5-methylfuran-2-yl)phenyl]methyl]-3-pyrazol-1-ylpropan-1-amine.

Molecular Properties

Compound NameN-methyl-N-[[2-(5-methylfuran-2-yl)phenyl]methyl]-3-pyrazol-1-ylpropan-1-amine
PubChem CID77095551
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC NameN-methyl-N-[[2-(5-methylfuran-2-yl)phenyl]methyl]-3-pyrazol-1-ylpropan-1-amine
SMILESCc1ccc(-c2ccccc2CN(C)CCCn2cccn2)o1
InChIInChI=1S/C19H23N3O/c1-16-9-10-19(23-16)18-8-4-3-7-17(18)15-21(2)12-6-14-22-13-5-11-20-22/h3-5,7-11,13H,6,12,14-15H2,1-2H3
InChIKeyWIPNFGIJDSWQNX-UHFFFAOYSA-N
XLogP3.97
TPSA34.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[2-(5-methylfuran-2-yl)phenyl]methyl]-3-pyrazol-1-ylpropan-1-amine?
The IUPAC name of N-methyl-N-[[2-(5-methylfuran-2-yl)phenyl]methyl]-3-pyrazol-1-ylpropan-1-amine (CID 77095551) is N-methyl-N-[[2-(5-methylfuran-2-yl)phenyl]methyl]-3-pyrazol-1-ylpropan-1-amine.
What is the SMILES notation for N-methyl-N-[[2-(5-methylfuran-2-yl)phenyl]methyl]-3-pyrazol-1-ylpropan-1-amine?
The canonical SMILES for N-methyl-N-[[2-(5-methylfuran-2-yl)phenyl]methyl]-3-pyrazol-1-ylpropan-1-amine is Cc1ccc(-c2ccccc2CN(C)CCCn2cccn2)o1.
What is the InChIKey of N-methyl-N-[[2-(5-methylfuran-2-yl)phenyl]methyl]-3-pyrazol-1-ylpropan-1-amine?
The InChIKey is WIPNFGIJDSWQNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O/c1-16-9-10-19(23-16)18-8-4-3-7-17(18)15-21(2)12-6-14-22-13-5-11-20-22/h3-5,7-11,13H,6,12,14-15H2,1-2H3.
What are the key properties of N-methyl-N-[[2-(5-methylfuran-2-yl)phenyl]methyl]-3-pyrazol-1-ylpropan-1-amine?
N-methyl-N-[[2-(5-methylfuran-2-yl)phenyl]methyl]-3-pyrazol-1-ylpropan-1-amine has a molecular weight of 309.41 g/mol, XLogP of 3.97, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[2-(5-methylfuran-2-yl)phenyl]methyl]-3-pyrazol-1-ylpropan-1-amine is sourced from PubChem (CID 77095551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).