5-fluoro-N-[(5-methylfuran-2-yl)methyl]-2-pyrazol-1-ylaniline

C15H14FN3O — CID 75393138

IUPAC5-fluoro-N-[(5-methylfuran-2-yl)methyl]-2-pyrazol-1-ylaniline
SMILESCc1ccc(CNc2cc(F)ccc2-n2cccn2)o1
InChIInChI=1S/C15H14FN3O/c1-11-3-5-13(20-11)10-17-14-9-12(16)4-6-15(14)19-8-2-7-18-19/h2-9,17H,10H2,1H3
InChIKeyPITNWBIEQJERCJ-UHFFFAOYSA-N
MW271.30 g/mol
LogP3.52
Rot. Bonds4

About 5-fluoro-N-[(5-methylfuran-2-yl)methyl]-2-pyrazol-1-ylaniline

5-fluoro-N-[(5-methylfuran-2-yl)methyl]-2-pyrazol-1-ylaniline (PubChem CID 75393138) has the molecular formula C15H14FN3O and a molecular weight of 271.30 g/mol. Its IUPAC name is 5-fluoro-N-[(5-methylfuran-2-yl)methyl]-2-pyrazol-1-ylaniline.

Molecular Properties

Compound Name5-fluoro-N-[(5-methylfuran-2-yl)methyl]-2-pyrazol-1-ylaniline
PubChem CID75393138
Molecular FormulaC15H14FN3O
Molecular Weight271.30 g/mol
Exact Mass271.11
IUPAC Name5-fluoro-N-[(5-methylfuran-2-yl)methyl]-2-pyrazol-1-ylaniline
SMILESCc1ccc(CNc2cc(F)ccc2-n2cccn2)o1
InChIInChI=1S/C15H14FN3O/c1-11-3-5-13(20-11)10-17-14-9-12(16)4-6-15(14)19-8-2-7-18-19/h2-9,17H,10H2,1H3
InChIKeyPITNWBIEQJERCJ-UHFFFAOYSA-N
XLogP3.52
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.30
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[(5-methylfuran-2-yl)methyl]-2-pyrazol-1-ylaniline?
The IUPAC name of 5-fluoro-N-[(5-methylfuran-2-yl)methyl]-2-pyrazol-1-ylaniline (CID 75393138) is 5-fluoro-N-[(5-methylfuran-2-yl)methyl]-2-pyrazol-1-ylaniline.
What is the SMILES notation for 5-fluoro-N-[(5-methylfuran-2-yl)methyl]-2-pyrazol-1-ylaniline?
The canonical SMILES for 5-fluoro-N-[(5-methylfuran-2-yl)methyl]-2-pyrazol-1-ylaniline is Cc1ccc(CNc2cc(F)ccc2-n2cccn2)o1.
What is the InChIKey of 5-fluoro-N-[(5-methylfuran-2-yl)methyl]-2-pyrazol-1-ylaniline?
The InChIKey is PITNWBIEQJERCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3O/c1-11-3-5-13(20-11)10-17-14-9-12(16)4-6-15(14)19-8-2-7-18-19/h2-9,17H,10H2,1H3.
What are the key properties of 5-fluoro-N-[(5-methylfuran-2-yl)methyl]-2-pyrazol-1-ylaniline?
5-fluoro-N-[(5-methylfuran-2-yl)methyl]-2-pyrazol-1-ylaniline has a molecular weight of 271.30 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[(5-methylfuran-2-yl)methyl]-2-pyrazol-1-ylaniline is sourced from PubChem (CID 75393138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).