N-[(4-fluoro-2-methylphenyl)methyl]-4-pyrazol-1-ylaniline

C17H16FN3 — CID 62134405

IUPACN-[(4-fluoro-2-methylphenyl)methyl]-4-pyrazol-1-ylaniline
SMILESCc1cc(F)ccc1CNc1ccc(-n2cccn2)cc1
InChIInChI=1S/C17H16FN3/c1-13-11-15(18)4-3-14(13)12-19-16-5-7-17(8-6-16)21-10-2-9-20-21/h2-11,19H,12H2,1H3
InChIKeyBFEGFIFSGMSERD-UHFFFAOYSA-N
MW281.33 g/mol
LogP3.93
Rot. Bonds4

About N-[(4-fluoro-2-methylphenyl)methyl]-4-pyrazol-1-ylaniline

N-[(4-fluoro-2-methylphenyl)methyl]-4-pyrazol-1-ylaniline (PubChem CID 62134405) has the molecular formula C17H16FN3 and a molecular weight of 281.33 g/mol. Its IUPAC name is N-[(4-fluoro-2-methylphenyl)methyl]-4-pyrazol-1-ylaniline.

Molecular Properties

Compound NameN-[(4-fluoro-2-methylphenyl)methyl]-4-pyrazol-1-ylaniline
PubChem CID62134405
Molecular FormulaC17H16FN3
Molecular Weight281.33 g/mol
Exact Mass281.13
IUPAC NameN-[(4-fluoro-2-methylphenyl)methyl]-4-pyrazol-1-ylaniline
SMILESCc1cc(F)ccc1CNc1ccc(-n2cccn2)cc1
InChIInChI=1S/C17H16FN3/c1-13-11-15(18)4-3-14(13)12-19-16-5-7-17(8-6-16)21-10-2-9-20-21/h2-11,19H,12H2,1H3
InChIKeyBFEGFIFSGMSERD-UHFFFAOYSA-N
XLogP3.93
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluoro-2-methylphenyl)methyl]-4-pyrazol-1-ylaniline?
The IUPAC name of N-[(4-fluoro-2-methylphenyl)methyl]-4-pyrazol-1-ylaniline (CID 62134405) is N-[(4-fluoro-2-methylphenyl)methyl]-4-pyrazol-1-ylaniline.
What is the SMILES notation for N-[(4-fluoro-2-methylphenyl)methyl]-4-pyrazol-1-ylaniline?
The canonical SMILES for N-[(4-fluoro-2-methylphenyl)methyl]-4-pyrazol-1-ylaniline is Cc1cc(F)ccc1CNc1ccc(-n2cccn2)cc1.
What is the InChIKey of N-[(4-fluoro-2-methylphenyl)methyl]-4-pyrazol-1-ylaniline?
The InChIKey is BFEGFIFSGMSERD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3/c1-13-11-15(18)4-3-14(13)12-19-16-5-7-17(8-6-16)21-10-2-9-20-21/h2-11,19H,12H2,1H3.
What are the key properties of N-[(4-fluoro-2-methylphenyl)methyl]-4-pyrazol-1-ylaniline?
N-[(4-fluoro-2-methylphenyl)methyl]-4-pyrazol-1-ylaniline has a molecular weight of 281.33 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluoro-2-methylphenyl)methyl]-4-pyrazol-1-ylaniline is sourced from PubChem (CID 62134405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).