N-[furan-2-yl(phenyl)methyl]-1-methylpyrazol-3-amine

C15H15N3O — CID 60810139

IUPACN-[furan-2-yl(phenyl)methyl]-1-methylpyrazol-3-amine
SMILESCn1ccc(NC(c2ccccc2)c2ccco2)n1
InChIInChI=1S/C15H15N3O/c1-18-10-9-14(17-18)16-15(13-8-5-11-19-13)12-6-3-2-4-7-12/h2-11,15H,1H3,(H,16,17)
InChIKeyQALNCTKPIZRZBY-UHFFFAOYSA-N
MW253.31 g/mol
LogP3.21
Rot. Bonds4

About N-[furan-2-yl(phenyl)methyl]-1-methylpyrazol-3-amine

N-[furan-2-yl(phenyl)methyl]-1-methylpyrazol-3-amine (PubChem CID 60810139) has the molecular formula C15H15N3O and a molecular weight of 253.31 g/mol. Its IUPAC name is N-[furan-2-yl(phenyl)methyl]-1-methylpyrazol-3-amine.

Molecular Properties

Compound NameN-[furan-2-yl(phenyl)methyl]-1-methylpyrazol-3-amine
PubChem CID60810139
Molecular FormulaC15H15N3O
Molecular Weight253.31 g/mol
Exact Mass253.12
IUPAC NameN-[furan-2-yl(phenyl)methyl]-1-methylpyrazol-3-amine
SMILESCn1ccc(NC(c2ccccc2)c2ccco2)n1
InChIInChI=1S/C15H15N3O/c1-18-10-9-14(17-18)16-15(13-8-5-11-19-13)12-6-3-2-4-7-12/h2-11,15H,1H3,(H,16,17)
InChIKeyQALNCTKPIZRZBY-UHFFFAOYSA-N
XLogP3.21
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[furan-2-yl(phenyl)methyl]-1-methylpyrazol-3-amine?
The IUPAC name of N-[furan-2-yl(phenyl)methyl]-1-methylpyrazol-3-amine (CID 60810139) is N-[furan-2-yl(phenyl)methyl]-1-methylpyrazol-3-amine.
What is the SMILES notation for N-[furan-2-yl(phenyl)methyl]-1-methylpyrazol-3-amine?
The canonical SMILES for N-[furan-2-yl(phenyl)methyl]-1-methylpyrazol-3-amine is Cn1ccc(NC(c2ccccc2)c2ccco2)n1.
What is the InChIKey of N-[furan-2-yl(phenyl)methyl]-1-methylpyrazol-3-amine?
The InChIKey is QALNCTKPIZRZBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c1-18-10-9-14(17-18)16-15(13-8-5-11-19-13)12-6-3-2-4-7-12/h2-11,15H,1H3,(H,16,17).
What are the key properties of N-[furan-2-yl(phenyl)methyl]-1-methylpyrazol-3-amine?
N-[furan-2-yl(phenyl)methyl]-1-methylpyrazol-3-amine has a molecular weight of 253.31 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[furan-2-yl(phenyl)methyl]-1-methylpyrazol-3-amine is sourced from PubChem (CID 60810139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).