1-(2,6-dichlorophenyl)-2-(1,3-diethylpyrazol-5-yl)-N-methylethanamine

C16H21Cl2N3 — CID 105001665

IUPAC1-(2,6-dichlorophenyl)-2-(1,3-diethylpyrazol-5-yl)-N-methylethanamine
SMILESCCc1cc(CC(NC)c2c(Cl)cccc2Cl)n(CC)n1
InChIInChI=1S/C16H21Cl2N3/c1-4-11-9-12(21(5-2)20-11)10-15(19-3)16-13(17)7-6-8-14(16)18/h6-9,15,19H,4-5,10H2,1-3H3
InChIKeyZGFLOPZCMQHQSC-UHFFFAOYSA-N
MW326.27 g/mol
LogP4.28
Rot. Bonds6

About 1-(2,6-dichlorophenyl)-2-(1,3-diethylpyrazol-5-yl)-N-methylethanamine

1-(2,6-dichlorophenyl)-2-(1,3-diethylpyrazol-5-yl)-N-methylethanamine (PubChem CID 105001665) has the molecular formula C16H21Cl2N3 and a molecular weight of 326.27 g/mol. Its IUPAC name is 1-(2,6-dichlorophenyl)-2-(1,3-diethylpyrazol-5-yl)-N-methylethanamine.

Molecular Properties

Compound Name1-(2,6-dichlorophenyl)-2-(1,3-diethylpyrazol-5-yl)-N-methylethanamine
PubChem CID105001665
Molecular FormulaC16H21Cl2N3
Molecular Weight326.27 g/mol
Exact Mass325.11
IUPAC Name1-(2,6-dichlorophenyl)-2-(1,3-diethylpyrazol-5-yl)-N-methylethanamine
SMILESCCc1cc(CC(NC)c2c(Cl)cccc2Cl)n(CC)n1
InChIInChI=1S/C16H21Cl2N3/c1-4-11-9-12(21(5-2)20-11)10-15(19-3)16-13(17)7-6-8-14(16)18/h6-9,15,19H,4-5,10H2,1-3H3
InChIKeyZGFLOPZCMQHQSC-UHFFFAOYSA-N
XLogP4.28
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.27
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chloro-6-fluorophenyl)-2-(1,3-diethylpyrazol-5-yl)-N-methylethanamine
CID 105001764
[1-(2-chloro-6-fluorophenyl)-2-(1,3-diethylpyrazol-5-yl)ethyl]hydrazine
CID 105318291
2-(1,3-diethylpyrazol-5-yl)-N-methyl-1-pyridazin-4-ylethanamine
CID 105161684
2-(1,3-diethylpyrazol-5-yl)-1-(2,4-dimethylphenyl)-N-methylethanamine
CID 105001550
[1-(3-chloro-4-fluorophenyl)-2-(1,3-diethylpyrazol-5-yl)ethyl]hydrazine
CID 105218225
5-[2-(chloromethyl)-3-(2-chlorophenyl)propyl]-1,3-diethylpyrazole
CID 66050345
1-(2-bromo-4-methylphenyl)-2-(1,3-diethylpyrazol-5-yl)-N-methylethanamine
CID 105001613
2-[(2-chlorophenyl)methyl]-3-(1,3-diethylpyrazol-5-yl)propan-1-ol
CID 66059308
2-(1,3-diethylpyrazol-5-yl)-N-methyl-1-(5-methyl-3-pyridinyl)ethanamine
CID 105161681
[2-(1,3-diethylpyrazol-5-yl)-1-(2,3-difluorophenyl)ethyl]hydrazine
CID 105318378
2-(1,3-diethylpyrazol-5-yl)-N-ethyl-1-(3-iodophenyl)ethanamine
CID 105001727
2-(4-chloro-3-fluorophenyl)-1-(1,3-diethylpyrazol-5-yl)-N-methylethanamine
CID 107891586

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichlorophenyl)-2-(1,3-diethylpyrazol-5-yl)-N-methylethanamine?
The IUPAC name of 1-(2,6-dichlorophenyl)-2-(1,3-diethylpyrazol-5-yl)-N-methylethanamine (CID 105001665) is 1-(2,6-dichlorophenyl)-2-(1,3-diethylpyrazol-5-yl)-N-methylethanamine.
What is the SMILES notation for 1-(2,6-dichlorophenyl)-2-(1,3-diethylpyrazol-5-yl)-N-methylethanamine?
The canonical SMILES for 1-(2,6-dichlorophenyl)-2-(1,3-diethylpyrazol-5-yl)-N-methylethanamine is CCc1cc(CC(NC)c2c(Cl)cccc2Cl)n(CC)n1.
What is the InChIKey of 1-(2,6-dichlorophenyl)-2-(1,3-diethylpyrazol-5-yl)-N-methylethanamine?
The InChIKey is ZGFLOPZCMQHQSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21Cl2N3/c1-4-11-9-12(21(5-2)20-11)10-15(19-3)16-13(17)7-6-8-14(16)18/h6-9,15,19H,4-5,10H2,1-3H3.
What are the key properties of 1-(2,6-dichlorophenyl)-2-(1,3-diethylpyrazol-5-yl)-N-methylethanamine?
1-(2,6-dichlorophenyl)-2-(1,3-diethylpyrazol-5-yl)-N-methylethanamine has a molecular weight of 326.27 g/mol, XLogP of 4.28, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichlorophenyl)-2-(1,3-diethylpyrazol-5-yl)-N-methylethanamine is sourced from PubChem (CID 105001665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).