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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Related Compounds

N-[(4-fluorophenyl)-phenylmethyl]-1-methylpyrazol-3-amine
CID 60809806
1-methyl-N-[(R)-phenyl-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyrazol-3-amine
CID 97075709
2-[(1-methylpyrazol-3-yl)amino]-2-phenylacetic acid
CID 103256803
1-(furan-2-yl)-2-[(1-methylpyrazol-3-yl)amino]ethanol
CID 79779478
N-[furan-2-yl(phenyl)methyl]-1-propan-2-ylpyrazol-4-amine
CID 62902277
(1R)-1-(furan-2-yl)-N-[furan-2-yl(phenyl)methyl]ethanamine
CID 81402613
N-[furan-2-yl(phenyl)methyl]-1-propan-2-ylpiperidin-4-amine
CID 119109266
N-[furan-2-yl(phenyl)methyl]-2,4-dimethylaniline
CID 43103663
N-[furan-2-yl(phenyl)methyl]-2-methoxypyridin-3-amine
CID 43721900
N-[furan-2-yl(phenyl)methyl]-1,5-dimethylpyrrolidin-3-amine
CID 81302357
N-cyclopropyl-2-[(1-methylpyrazol-3-yl)amino]-2-phenylacetamide
CID 42897384
3-fluoro-N-[furan-2-yl(phenyl)methyl]-4-methylaniline
CID 43108707

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).