N-[(3,4-dichlorophenyl)methyl]-2-pyrazol-1-ylaniline

C16H13Cl2N3 — CID 43705684

IUPACN-[(3,4-dichlorophenyl)methyl]-2-pyrazol-1-ylaniline
SMILESClc1ccc(CNc2ccccc2-n2cccn2)cc1Cl
InChIInChI=1S/C16H13Cl2N3/c17-13-7-6-12(10-14(13)18)11-19-15-4-1-2-5-16(15)21-9-3-8-20-21/h1-10,19H,11H2
InChIKeyJXZJSQDFFFOPEF-UHFFFAOYSA-N
MW318.21 g/mol
LogP4.79
Rot. Bonds4

About N-[(3,4-dichlorophenyl)methyl]-2-pyrazol-1-ylaniline

N-[(3,4-dichlorophenyl)methyl]-2-pyrazol-1-ylaniline (PubChem CID 43705684) has the molecular formula C16H13Cl2N3 and a molecular weight of 318.21 g/mol. Its IUPAC name is N-[(3,4-dichlorophenyl)methyl]-2-pyrazol-1-ylaniline.

Molecular Properties

Compound NameN-[(3,4-dichlorophenyl)methyl]-2-pyrazol-1-ylaniline
PubChem CID43705684
Molecular FormulaC16H13Cl2N3
Molecular Weight318.21 g/mol
Exact Mass317.05
IUPAC NameN-[(3,4-dichlorophenyl)methyl]-2-pyrazol-1-ylaniline
SMILESClc1ccc(CNc2ccccc2-n2cccn2)cc1Cl
InChIInChI=1S/C16H13Cl2N3/c17-13-7-6-12(10-14(13)18)11-19-15-4-1-2-5-16(15)21-9-3-8-20-21/h1-10,19H,11H2
InChIKeyJXZJSQDFFFOPEF-UHFFFAOYSA-N
XLogP4.79
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.21
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3,4-dimethylphenyl)methyl]-2-pyrazol-1-ylaniline
CID 43784031
N-[(3-methylphenyl)methyl]-2-pyrazol-1-ylaniline
CID 43705696
N-[(4-fluoro-3-methylphenyl)methyl]-2-pyrazol-1-ylaniline
CID 62122481
N-[(3-bromo-4-chlorophenyl)methyl]-2-(triazol-1-yl)aniline
CID 83232418
N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-2-pyrazol-1-ylaniline
CID 102832685
N-[(4,5-dibromofuran-2-yl)methyl]-2-pyrazol-1-ylaniline
CID 62085905
N-[(2,4-dimethylphenyl)methyl]-2-pyrazol-1-ylaniline
CID 43705670
N-[(2,5-difluorophenyl)methyl]-2-pyrazol-1-ylaniline
CID 43705653
5-chloro-N-[(3-methylphenyl)methyl]-2-pyrazol-1-ylaniline
CID 51890254
5-bromo-2-chloro-N-[(4-pyrazol-1-ylphenyl)methyl]aniline
CID 63478416
N-[(2-propylpyrazol-3-yl)methyl]-2-pyrazol-1-ylaniline
CID 114555172
N-[(5-methyl-1H-imidazol-4-yl)methyl]-2-pyrazol-1-ylaniline
CID 55114545

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dichlorophenyl)methyl]-2-pyrazol-1-ylaniline?
The IUPAC name of N-[(3,4-dichlorophenyl)methyl]-2-pyrazol-1-ylaniline (CID 43705684) is N-[(3,4-dichlorophenyl)methyl]-2-pyrazol-1-ylaniline.
What is the SMILES notation for N-[(3,4-dichlorophenyl)methyl]-2-pyrazol-1-ylaniline?
The canonical SMILES for N-[(3,4-dichlorophenyl)methyl]-2-pyrazol-1-ylaniline is Clc1ccc(CNc2ccccc2-n2cccn2)cc1Cl.
What is the InChIKey of N-[(3,4-dichlorophenyl)methyl]-2-pyrazol-1-ylaniline?
The InChIKey is JXZJSQDFFFOPEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2N3/c17-13-7-6-12(10-14(13)18)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-[(3,4-dichlorophenyl)methyl]-2-pyrazol-1-ylaniline?
N-[(3,4-dichlorophenyl)methyl]-2-pyrazol-1-ylaniline has a molecular weight of 318.21 g/mol, XLogP of 4.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dichlorophenyl)methyl]-2-pyrazol-1-ylaniline is sourced from PubChem (CID 43705684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).