N-[(2,5-difluorophenyl)methyl]-2-pyrazol-1-ylaniline

C16H13F2N3 — CID 43705653

IUPACN-[(2,5-difluorophenyl)methyl]-2-pyrazol-1-ylaniline
SMILESFc1ccc(F)c(CNc2ccccc2-n2cccn2)c1
InChIInChI=1S/C16H13F2N3/c17-13-6-7-14(18)12(10-13)11-19-15-4-1-2-5-16(15)21-9-3-8-20-21/h1-10,19H,11H2
InChIKeyQCTZSAKPQPCAHD-UHFFFAOYSA-N
MW285.30 g/mol
LogP3.76
Rot. Bonds4

About N-[(2,5-difluorophenyl)methyl]-2-pyrazol-1-ylaniline

N-[(2,5-difluorophenyl)methyl]-2-pyrazol-1-ylaniline (PubChem CID 43705653) has the molecular formula C16H13F2N3 and a molecular weight of 285.30 g/mol. Its IUPAC name is N-[(2,5-difluorophenyl)methyl]-2-pyrazol-1-ylaniline.

Molecular Properties

Compound NameN-[(2,5-difluorophenyl)methyl]-2-pyrazol-1-ylaniline
PubChem CID43705653
Molecular FormulaC16H13F2N3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC NameN-[(2,5-difluorophenyl)methyl]-2-pyrazol-1-ylaniline
SMILESFc1ccc(F)c(CNc2ccccc2-n2cccn2)c1
InChIInChI=1S/C16H13F2N3/c17-13-6-7-14(18)12(10-13)11-19-15-4-1-2-5-16(15)21-9-3-8-20-21/h1-10,19H,11H2
InChIKeyQCTZSAKPQPCAHD-UHFFFAOYSA-N
XLogP3.76
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-fluoro-3-methylphenyl)methyl]-2-pyrazol-1-ylaniline
CID 62122481
N-[(2,4-dimethylphenyl)methyl]-2-pyrazol-1-ylaniline
CID 43705670
N-[(3,4-dimethylphenyl)methyl]-2-pyrazol-1-ylaniline
CID 43784031
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-pyrazol-1-ylaniline
CID 43705914
1-(5-fluoro-2-pyrazol-1-ylphenyl)-N-methylmethanamine
CID 43314016
N-[(3,4-dichlorophenyl)methyl]-2-pyrazol-1-ylaniline
CID 43705684
2-methyl-6-[(2-pyrazol-1-ylanilino)methyl]phenol
CID 115904144
[1-[2-[(2,5-difluorophenyl)methylamino]phenyl]piperidin-4-yl]methanol
CID 75513043
4-fluoro-2-[[(2-pyrazol-1-yl-3-pyridinyl)amino]methyl]phenol
CID 107694361
N-[(3-methylphenyl)methyl]-2-pyrazol-1-ylaniline
CID 43705696
N-[(4,5-dibromofuran-2-yl)methyl]-2-pyrazol-1-ylaniline
CID 62085905
N-[(2-fluorophenyl)methyl]-1-(2-pyrazol-1-ylphenyl)methanamine
CID 61167301

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-difluorophenyl)methyl]-2-pyrazol-1-ylaniline?
The IUPAC name of N-[(2,5-difluorophenyl)methyl]-2-pyrazol-1-ylaniline (CID 43705653) is N-[(2,5-difluorophenyl)methyl]-2-pyrazol-1-ylaniline.
What is the SMILES notation for N-[(2,5-difluorophenyl)methyl]-2-pyrazol-1-ylaniline?
The canonical SMILES for N-[(2,5-difluorophenyl)methyl]-2-pyrazol-1-ylaniline is Fc1ccc(F)c(CNc2ccccc2-n2cccn2)c1.
What is the InChIKey of N-[(2,5-difluorophenyl)methyl]-2-pyrazol-1-ylaniline?
The InChIKey is QCTZSAKPQPCAHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2N3/c17-13-6-7-14(18)12(10-13)11-19-15-4-1-2-5-16(15)21-9-3-8-20-21/h1-10,19H,11H2.
What are the key properties of N-[(2,5-difluorophenyl)methyl]-2-pyrazol-1-ylaniline?
N-[(2,5-difluorophenyl)methyl]-2-pyrazol-1-ylaniline has a molecular weight of 285.30 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-difluorophenyl)methyl]-2-pyrazol-1-ylaniline is sourced from PubChem (CID 43705653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).