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

C16H13Cl2N3 — CID 43739948

IUPACN-[(2,4-dichlorophenyl)methyl]-3-pyrazol-1-ylaniline
SMILESClc1ccc(CNc2cccc(-n3cccn3)c2)c(Cl)c1
InChIInChI=1S/C16H13Cl2N3/c17-13-6-5-12(16(18)9-13)11-19-14-3-1-4-15(10-14)21-8-2-7-20-21/h1-10,19H,11H2
InChIKeySAJVNKKHPJSHFC-UHFFFAOYSA-N
MW318.21 g/mol
LogP4.79
Rot. Bonds4

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

N-[(2,4-dichlorophenyl)methyl]-3-pyrazol-1-ylaniline (PubChem CID 43739948) has the molecular formula C16H13Cl2N3 and a molecular weight of 318.21 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)methyl]-3-pyrazol-1-ylaniline.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)methyl]-3-pyrazol-1-ylaniline
PubChem CID43739948
Molecular FormulaC16H13Cl2N3
Molecular Weight318.21 g/mol
Exact Mass317.05
IUPAC NameN-[(2,4-dichlorophenyl)methyl]-3-pyrazol-1-ylaniline
SMILESClc1ccc(CNc2cccc(-n3cccn3)c2)c(Cl)c1
InChIInChI=1S/C16H13Cl2N3/c17-13-6-5-12(16(18)9-13)11-19-14-3-1-4-15(10-14)21-8-2-7-20-21/h1-10,19H,11H2
InChIKeySAJVNKKHPJSHFC-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-[(4-chlorophenyl)methyl]-3-pyrazol-1-ylaniline
CID 43739916
N-[(2,4-dichlorophenyl)methyl]-3-(tetrazol-1-yl)aniline
CID 43231375
2-[(3-pyrazol-1-ylanilino)methyl]aniline
CID 66416886
N-[(2-bromophenyl)methyl]-3-pyrazol-1-ylaniline
CID 43739976
N-(3-chlorophenyl)-3-pyrazol-1-ylaniline
CID 162634741
N-(furan-2-ylmethyl)-3-pyrazol-1-ylaniline
CID 43739947
N-[(4,5-dibromothiophen-2-yl)methyl]-3-pyrazol-1-ylaniline
CID 102833729
N-[(2,4-dichlorophenyl)methyl]pyridin-3-amine;dihydrochloride
CID 71432381
N-[(2,5-dichlorophenyl)methyl]-3-(tetrazol-1-yl)aniline
CID 103696972
N-[(2,4-dichlorophenyl)methyl]-3-ethynylaniline
CID 30055580
N-[(5-bromothiophen-3-yl)methyl]-3-pyrazol-1-ylaniline
CID 43740019
N-[(6-methyl-3-pyridinyl)methyl]-3-pyrazol-1-ylaniline
CID 104756598

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)methyl]-3-pyrazol-1-ylaniline?
The IUPAC name of N-[(2,4-dichlorophenyl)methyl]-3-pyrazol-1-ylaniline (CID 43739948) is N-[(2,4-dichlorophenyl)methyl]-3-pyrazol-1-ylaniline.
What is the SMILES notation for N-[(2,4-dichlorophenyl)methyl]-3-pyrazol-1-ylaniline?
The canonical SMILES for N-[(2,4-dichlorophenyl)methyl]-3-pyrazol-1-ylaniline is Clc1ccc(CNc2cccc(-n3cccn3)c2)c(Cl)c1.
What is the InChIKey of N-[(2,4-dichlorophenyl)methyl]-3-pyrazol-1-ylaniline?
The InChIKey is SAJVNKKHPJSHFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2N3/c17-13-6-5-12(16(18)9-13)11-19-14-3-1-4-15(10-14)21-8-2-7-20-21/h1-10,19H,11H2.
What are the key properties of N-[(2,4-dichlorophenyl)methyl]-3-pyrazol-1-ylaniline?
N-[(2,4-dichlorophenyl)methyl]-3-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-[(2,4-dichlorophenyl)methyl]-3-pyrazol-1-ylaniline is sourced from PubChem (CID 43739948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).