N-[(2-chloro-6-fluorophenyl)methyl]-4-pyrazol-1-ylaniline

C16H13ClFN3 — CID 43688256

IUPACN-[(2-chloro-6-fluorophenyl)methyl]-4-pyrazol-1-ylaniline
SMILESFc1cccc(Cl)c1CNc1ccc(-n2cccn2)cc1
InChIInChI=1S/C16H13ClFN3/c17-15-3-1-4-16(18)14(15)11-19-12-5-7-13(8-6-12)21-10-2-9-20-21/h1-10,19H,11H2
InChIKeyDWRZWATZAFYZNJ-UHFFFAOYSA-N
MW301.75 g/mol
LogP4.28
Rot. Bonds4

About N-[(2-chloro-6-fluorophenyl)methyl]-4-pyrazol-1-ylaniline

N-[(2-chloro-6-fluorophenyl)methyl]-4-pyrazol-1-ylaniline (PubChem CID 43688256) has the molecular formula C16H13ClFN3 and a molecular weight of 301.75 g/mol. Its IUPAC name is N-[(2-chloro-6-fluorophenyl)methyl]-4-pyrazol-1-ylaniline.

Molecular Properties

Compound NameN-[(2-chloro-6-fluorophenyl)methyl]-4-pyrazol-1-ylaniline
PubChem CID43688256
Molecular FormulaC16H13ClFN3
Molecular Weight301.75 g/mol
Exact Mass301.08
IUPAC NameN-[(2-chloro-6-fluorophenyl)methyl]-4-pyrazol-1-ylaniline
SMILESFc1cccc(Cl)c1CNc1ccc(-n2cccn2)cc1
InChIInChI=1S/C16H13ClFN3/c17-15-3-1-4-16(18)14(15)11-19-12-5-7-13(8-6-12)21-10-2-9-20-21/h1-10,19H,11H2
InChIKeyDWRZWATZAFYZNJ-UHFFFAOYSA-N
XLogP4.28
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.75
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-chloro-2-fluorophenyl)methyl]-4-pyrazol-1-ylaniline
CID 115743032
N-[(2,6-dichlorophenyl)methyl]-6-pyrazol-1-ylpyridin-3-amine
CID 43704388
N-[(2,6-difluorophenyl)methyl]-4-(triazol-2-yl)aniline
CID 43740302
N-[(3-bromo-4-fluorophenyl)methyl]-4-pyrazol-1-ylaniline
CID 43688239
N-[(3-fluoro-4-methylphenyl)methyl]-4-pyrazol-1-ylaniline
CID 63645199
N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-4-pyrazol-1-ylbenzamide
CID 9171384
N-[(2-chloro-6-fluorophenyl)methyl]-1H-pyrazol-4-amine
CID 43539940
N-[(1-ethylpyrrol-2-yl)methyl]-4-pyrazol-1-ylaniline
CID 66412112
N-[(2-chloro-6-fluorophenyl)methyl]-1-(2-pyrazol-1-yl-3-pyridinyl)methanamine;hydrochloride
CID 47030673
N-[(2-chloro-6-fluorophenyl)methyl]naphthalen-2-amine
CID 43229432
4-ethyl-N-[(4-pyrazol-1-ylphenyl)methyl]aniline
CID 43226671
N-[(4-fluoro-2-methylphenyl)methyl]-4-pyrazol-1-ylaniline
CID 62134405

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-4-pyrazol-1-ylaniline?
The IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-4-pyrazol-1-ylaniline (CID 43688256) is N-[(2-chloro-6-fluorophenyl)methyl]-4-pyrazol-1-ylaniline.
What is the SMILES notation for N-[(2-chloro-6-fluorophenyl)methyl]-4-pyrazol-1-ylaniline?
The canonical SMILES for N-[(2-chloro-6-fluorophenyl)methyl]-4-pyrazol-1-ylaniline is Fc1cccc(Cl)c1CNc1ccc(-n2cccn2)cc1.
What is the InChIKey of N-[(2-chloro-6-fluorophenyl)methyl]-4-pyrazol-1-ylaniline?
The InChIKey is DWRZWATZAFYZNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClFN3/c17-15-3-1-4-16(18)14(15)11-19-12-5-7-13(8-6-12)21-10-2-9-20-21/h1-10,19H,11H2.
What are the key properties of N-[(2-chloro-6-fluorophenyl)methyl]-4-pyrazol-1-ylaniline?
N-[(2-chloro-6-fluorophenyl)methyl]-4-pyrazol-1-ylaniline has a molecular weight of 301.75 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-fluorophenyl)methyl]-4-pyrazol-1-ylaniline is sourced from PubChem (CID 43688256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).