1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-1-(2,3-dichlorophenyl)-N-methylmethanamine

C14H16Cl3N3O — CID 105054587

IUPAC1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-1-(2,3-dichlorophenyl)-N-methylmethanamine
SMILESCNC(c1cccc(Cl)c1Cl)c1c(Cl)cnn1CCOC
InChIInChI=1S/C14H16Cl3N3O/c1-18-13(9-4-3-5-10(15)12(9)17)14-11(16)8-19-20(14)6-7-21-2/h3-5,8,13,18H,6-7H2,1-2H3
InChIKeyQCGFPFXTQCFINX-UHFFFAOYSA-N
MW348.66 g/mol
LogP3.80
Rot. Bonds6

About 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-1-(2,3-dichlorophenyl)-N-methylmethanamine

1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-1-(2,3-dichlorophenyl)-N-methylmethanamine (PubChem CID 105054587) has the molecular formula C14H16Cl3N3O and a molecular weight of 348.66 g/mol. Its IUPAC name is 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-1-(2,3-dichlorophenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-1-(2,3-dichlorophenyl)-N-methylmethanamine
PubChem CID105054587
Molecular FormulaC14H16Cl3N3O
Molecular Weight348.66 g/mol
Exact Mass347.04
IUPAC Name1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-1-(2,3-dichlorophenyl)-N-methylmethanamine
SMILESCNC(c1cccc(Cl)c1Cl)c1c(Cl)cnn1CCOC
InChIInChI=1S/C14H16Cl3N3O/c1-18-13(9-4-3-5-10(15)12(9)17)14-11(16)8-19-20(14)6-7-21-2/h3-5,8,13,18H,6-7H2,1-2H3
InChIKeyQCGFPFXTQCFINX-UHFFFAOYSA-N
XLogP3.80
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.66
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-1-(2-fluoro-3-methylphenyl)-N-methylmethanamine
CID 105054570
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-1-(3-chloro-2-pyridinyl)-N-methylmethanamine
CID 103444104
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-1-(2,5-dimethylphenyl)-N-methylmethanamine
CID 105054590
1-(2-bromo-5-fluorophenyl)-1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-N-methylmethanamine
CID 105054492
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-1-(2,5-dichlorothiophen-3-yl)-N-methylmethanamine
CID 107969315
[(4-chloro-1-propylpyrazol-5-yl)-(2,3-dichlorophenyl)methyl]hydrazine
CID 105337147
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-1-(3,5-dichloro-2-pyridinyl)-N-methylmethanamine
CID 114657954
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-N-methyl-1-pyridazin-4-ylmethanamine
CID 105190055
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(2,6-dichlorophenyl)methanamine
CID 105054471
1-(3-bromo-2-chlorophenyl)-1-(4-chloro-1-ethylpyrazol-5-yl)-N-methylmethanamine
CID 105040798
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-(2,6-dichlorophenyl)ethanamine
CID 114649068
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(2-methylphenyl)methanol
CID 114634869

Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-1-(2,3-dichlorophenyl)-N-methylmethanamine?
The IUPAC name of 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-1-(2,3-dichlorophenyl)-N-methylmethanamine (CID 105054587) is 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-1-(2,3-dichlorophenyl)-N-methylmethanamine.
What is the SMILES notation for 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-1-(2,3-dichlorophenyl)-N-methylmethanamine?
The canonical SMILES for 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-1-(2,3-dichlorophenyl)-N-methylmethanamine is CNC(c1cccc(Cl)c1Cl)c1c(Cl)cnn1CCOC.
What is the InChIKey of 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-1-(2,3-dichlorophenyl)-N-methylmethanamine?
The InChIKey is QCGFPFXTQCFINX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl3N3O/c1-18-13(9-4-3-5-10(15)12(9)17)14-11(16)8-19-20(14)6-7-21-2/h3-5,8,13,18H,6-7H2,1-2H3.
What are the key properties of 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-1-(2,3-dichlorophenyl)-N-methylmethanamine?
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-1-(2,3-dichlorophenyl)-N-methylmethanamine has a molecular weight of 348.66 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-1-(2,3-dichlorophenyl)-N-methylmethanamine is sourced from PubChem (CID 105054587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).