[1-[4-[(2,6-dichlorophenyl)methoxy]phenyl]pyrazol-3-yl]methanamine

C17H15Cl2N3O — CID 170608530

IUPAC[1-[4-[(2,6-dichlorophenyl)methoxy]phenyl]pyrazol-3-yl]methanamine
SMILESNCc1ccn(-c2ccc(OCc3c(Cl)cccc3Cl)cc2)n1
InChIInChI=1S/C17H15Cl2N3O/c18-16-2-1-3-17(19)15(16)11-23-14-6-4-13(5-7-14)22-9-8-12(10-20)21-22/h1-9H,10-11,20H2
InChIKeyBSCUFNBSLYYZHG-UHFFFAOYSA-N
MW348.23 g/mol
LogP4.22
Rot. Bonds5

About [1-[4-[(2,6-dichlorophenyl)methoxy]phenyl]pyrazol-3-yl]methanamine

[1-[4-[(2,6-dichlorophenyl)methoxy]phenyl]pyrazol-3-yl]methanamine (PubChem CID 170608530) has the molecular formula C17H15Cl2N3O and a molecular weight of 348.23 g/mol. Its IUPAC name is [1-[4-[(2,6-dichlorophenyl)methoxy]phenyl]pyrazol-3-yl]methanamine.

Molecular Properties

Compound Name[1-[4-[(2,6-dichlorophenyl)methoxy]phenyl]pyrazol-3-yl]methanamine
PubChem CID170608530
Molecular FormulaC17H15Cl2N3O
Molecular Weight348.23 g/mol
Exact Mass347.06
IUPAC Name[1-[4-[(2,6-dichlorophenyl)methoxy]phenyl]pyrazol-3-yl]methanamine
SMILESNCc1ccn(-c2ccc(OCc3c(Cl)cccc3Cl)cc2)n1
InChIInChI=1S/C17H15Cl2N3O/c18-16-2-1-3-17(19)15(16)11-23-14-6-4-13(5-7-14)22-9-8-12(10-20)21-22/h1-9H,10-11,20H2
InChIKeyBSCUFNBSLYYZHG-UHFFFAOYSA-N
XLogP4.22
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.23
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[4-[(2,6-dichlorophenyl)methoxy]phenyl]pyrazol-4-yl]methanol
CID 170608510
2-[(4-bromophenoxy)methyl]-1,3-dichlorobenzene
CID 925892
1,3-dichloro-2-[(4-iodophenoxy)methyl]benzene
CID 60627529
4-[(1-phenylpyrazol-3-yl)methoxy]benzonitrile
CID 62223603
5-[(2,6-dichlorophenyl)methoxy]-2-methylpyrimidine
CID 170608959
2-[4-[(2,6-dichlorophenyl)methoxy]phenyl]acetonitrile
CID 28888239
[1-[5-[(2-tert-butyl-6-chlorophenyl)methoxy]pyrimidin-2-yl]pyrazol-3-yl]methanol
CID 176829001
N-[[1-[4-[(2,6-dichlorophenyl)methoxy]phenyl]imidazol-4-yl]methyl]acetamide
CID 170608857
1,3-dichloro-2-[(4-ethylphenoxy)methyl]benzene;ethane
CID 142233914
2-(chloromethyl)-5-[4-[(2,6-dichlorophenyl)methoxy]phenyl]-1,3,4-oxadiazole
CID 176829073
2-[4-[[1-(4-fluorophenyl)pyrazol-3-yl]methoxy]phenoxy]ethanol
CID 111630051
2-bromo-5-[(2,6-dichlorophenyl)methoxy]pyridine
CID 103695201

Frequently Asked Questions

What is the IUPAC name of [1-[4-[(2,6-dichlorophenyl)methoxy]phenyl]pyrazol-3-yl]methanamine?
The IUPAC name of [1-[4-[(2,6-dichlorophenyl)methoxy]phenyl]pyrazol-3-yl]methanamine (CID 170608530) is [1-[4-[(2,6-dichlorophenyl)methoxy]phenyl]pyrazol-3-yl]methanamine.
What is the SMILES notation for [1-[4-[(2,6-dichlorophenyl)methoxy]phenyl]pyrazol-3-yl]methanamine?
The canonical SMILES for [1-[4-[(2,6-dichlorophenyl)methoxy]phenyl]pyrazol-3-yl]methanamine is NCc1ccn(-c2ccc(OCc3c(Cl)cccc3Cl)cc2)n1.
What is the InChIKey of [1-[4-[(2,6-dichlorophenyl)methoxy]phenyl]pyrazol-3-yl]methanamine?
The InChIKey is BSCUFNBSLYYZHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2N3O/c18-16-2-1-3-17(19)15(16)11-23-14-6-4-13(5-7-14)22-9-8-12(10-20)21-22/h1-9H,10-11,20H2.
What are the key properties of [1-[4-[(2,6-dichlorophenyl)methoxy]phenyl]pyrazol-3-yl]methanamine?
[1-[4-[(2,6-dichlorophenyl)methoxy]phenyl]pyrazol-3-yl]methanamine has a molecular weight of 348.23 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-[(2,6-dichlorophenyl)methoxy]phenyl]pyrazol-3-yl]methanamine is sourced from PubChem (CID 170608530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).