2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(5-chlorothiophen-2-yl)-N-methylethanamine

C14H19Cl2N3S — CID 105001358

IUPAC2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(5-chlorothiophen-2-yl)-N-methylethanamine
SMILESCCc1nn(CC)c(CC(NC)c2ccc(Cl)s2)c1Cl
InChIInChI=1S/C14H19Cl2N3S/c1-4-9-14(16)11(19(5-2)18-9)8-10(17-3)12-6-7-13(15)20-12/h6-7,10,17H,4-5,8H2,1-3H3
InChIKeyMDNQBFHVCFOGCN-UHFFFAOYSA-N
MW332.30 g/mol
LogP4.34
Rot. Bonds6

About 2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(5-chlorothiophen-2-yl)-N-methylethanamine

2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(5-chlorothiophen-2-yl)-N-methylethanamine (PubChem CID 105001358) has the molecular formula C14H19Cl2N3S and a molecular weight of 332.30 g/mol. Its IUPAC name is 2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(5-chlorothiophen-2-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(5-chlorothiophen-2-yl)-N-methylethanamine
PubChem CID105001358
Molecular FormulaC14H19Cl2N3S
Molecular Weight332.30 g/mol
Exact Mass331.07
IUPAC Name2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(5-chlorothiophen-2-yl)-N-methylethanamine
SMILESCCc1nn(CC)c(CC(NC)c2ccc(Cl)s2)c1Cl
InChIInChI=1S/C14H19Cl2N3S/c1-4-9-14(16)11(19(5-2)18-9)8-10(17-3)12-6-7-13(15)20-12/h6-7,10,17H,4-5,8H2,1-3H3
InChIKeyMDNQBFHVCFOGCN-UHFFFAOYSA-N
XLogP4.34
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.30
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(5-chlorothiophen-2-yl)-N-methylethanamine
CID 105002358
[2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(5-chlorothiophen-2-yl)ethyl]hydrazine
CID 105316820
2-(4-chloro-1,3-diethylpyrazol-5-yl)-N-methyl-1-pyrimidin-5-ylethanamine
CID 102923580
2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(2-iodophenyl)-N-methylethanamine
CID 105001342
2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(5-chlorothiophen-2-yl)ethanamine
CID 105002359
N-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-2-(5-chlorothiophen-2-yl)ethanamine
CID 106046742
3-(4-chloro-1,3-diethylpyrazol-5-yl)-1,1-dimethoxy-N-methylpropan-2-amine
CID 79492035
2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(4,5-dibromothiophen-2-yl)-N-methylethanamine
CID 104998520
[1-(5-bromothiophen-3-yl)-2-(4-chloro-1,3-diethylpyrazol-5-yl)ethyl]hydrazine
CID 105318272
[2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-pyrimidin-4-ylethyl]hydrazine
CID 105221159
2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(3-chloro-4-methylthiophen-2-yl)-N-methylethanamine
CID 103406533
[1-(2-bromofuran-3-yl)-2-(4-chloro-1,3-diethylpyrazol-5-yl)ethyl]hydrazine
CID 106860035

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(5-chlorothiophen-2-yl)-N-methylethanamine?
The IUPAC name of 2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(5-chlorothiophen-2-yl)-N-methylethanamine (CID 105001358) is 2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(5-chlorothiophen-2-yl)-N-methylethanamine.
What is the SMILES notation for 2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(5-chlorothiophen-2-yl)-N-methylethanamine?
The canonical SMILES for 2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(5-chlorothiophen-2-yl)-N-methylethanamine is CCc1nn(CC)c(CC(NC)c2ccc(Cl)s2)c1Cl.
What is the InChIKey of 2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(5-chlorothiophen-2-yl)-N-methylethanamine?
The InChIKey is MDNQBFHVCFOGCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2N3S/c1-4-9-14(16)11(19(5-2)18-9)8-10(17-3)12-6-7-13(15)20-12/h6-7,10,17H,4-5,8H2,1-3H3.
What are the key properties of 2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(5-chlorothiophen-2-yl)-N-methylethanamine?
2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(5-chlorothiophen-2-yl)-N-methylethanamine has a molecular weight of 332.30 g/mol, XLogP of 4.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(5-chlorothiophen-2-yl)-N-methylethanamine is sourced from PubChem (CID 105001358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).