2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-N-ethyl-1-(4-methoxythiophen-2-yl)ethanamine

C15H22ClN3OS — CID 104998879

IUPAC2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-N-ethyl-1-(4-methoxythiophen-2-yl)ethanamine
SMILESCCNC(Cc1c(Cl)c(C)nn1CC)c1cc(OC)cs1
InChIInChI=1S/C15H22ClN3OS/c1-5-17-12(14-7-11(20-4)9-21-14)8-13-15(16)10(3)18-19(13)6-2/h7,9,12,17H,5-6,8H2,1-4H3
InChIKeyCINOTQGVPFIVJB-UHFFFAOYSA-N
MW327.88 g/mol
LogP3.83
Rot. Bonds7

About 2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-N-ethyl-1-(4-methoxythiophen-2-yl)ethanamine

2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-N-ethyl-1-(4-methoxythiophen-2-yl)ethanamine (PubChem CID 104998879) has the molecular formula C15H22ClN3OS and a molecular weight of 327.88 g/mol. Its IUPAC name is 2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-N-ethyl-1-(4-methoxythiophen-2-yl)ethanamine.

Molecular Properties

Compound Name2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-N-ethyl-1-(4-methoxythiophen-2-yl)ethanamine
PubChem CID104998879
Molecular FormulaC15H22ClN3OS
Molecular Weight327.88 g/mol
Exact Mass327.12
IUPAC Name2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-N-ethyl-1-(4-methoxythiophen-2-yl)ethanamine
SMILESCCNC(Cc1c(Cl)c(C)nn1CC)c1cc(OC)cs1
InChIInChI=1S/C15H22ClN3OS/c1-5-17-12(14-7-11(20-4)9-21-14)8-13-15(16)10(3)18-19(13)6-2/h7,9,12,17H,5-6,8H2,1-4H3
InChIKeyCINOTQGVPFIVJB-UHFFFAOYSA-N
XLogP3.83
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.88
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-N-ethyl-1-(4-methoxythiophen-2-yl)ethanamine with MolForge

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Related Compounds

2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-N-ethyl-1-(4-methoxythiophen-2-yl)ethanamine
CID 104998575
2-(3-chloro-4-pyridinyl)-N-ethyl-1-(4-methoxythiophen-2-yl)ethanamine
CID 112655672
2-(2,4-dichlorophenyl)-N-ethyl-1-(4-methoxythiophen-2-yl)ethanamine
CID 115840276
3-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-N-ethyl-1,1-dimethoxypropan-2-amine
CID 79492047
N-[2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(3-chlorothiophen-2-yl)ethyl]propan-1-amine
CID 104998837
N-ethyl-1-(4-methoxythiophen-2-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine
CID 104999790
N-ethyl-1-(4-methoxythiophen-2-yl)but-3-en-1-amine
CID 115815103
2-(3-bromophenyl)-N-ethyl-1-(4-methoxythiophen-2-yl)ethanamine
CID 81122653
N-ethyl-1-(4-methoxythiophen-2-yl)nonan-1-amine
CID 115835766
3-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-N-ethyl-1,1,1-trifluoropropan-2-amine
CID 104998740
N-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-1-(4-methoxyphenyl)ethanamine
CID 66242004
N-ethyl-1-(4-methoxythiophen-2-yl)-3-methylsulfonylpropan-1-amine
CID 115848647

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-N-ethyl-1-(4-methoxythiophen-2-yl)ethanamine?
The IUPAC name of 2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-N-ethyl-1-(4-methoxythiophen-2-yl)ethanamine (CID 104998879) is 2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-N-ethyl-1-(4-methoxythiophen-2-yl)ethanamine.
What is the SMILES notation for 2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-N-ethyl-1-(4-methoxythiophen-2-yl)ethanamine?
The canonical SMILES for 2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-N-ethyl-1-(4-methoxythiophen-2-yl)ethanamine is CCNC(Cc1c(Cl)c(C)nn1CC)c1cc(OC)cs1.
What is the InChIKey of 2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-N-ethyl-1-(4-methoxythiophen-2-yl)ethanamine?
The InChIKey is CINOTQGVPFIVJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3OS/c1-5-17-12(14-7-11(20-4)9-21-14)8-13-15(16)10(3)18-19(13)6-2/h7,9,12,17H,5-6,8H2,1-4H3.
What are the key properties of 2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-N-ethyl-1-(4-methoxythiophen-2-yl)ethanamine?
2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-N-ethyl-1-(4-methoxythiophen-2-yl)ethanamine has a molecular weight of 327.88 g/mol, XLogP of 3.83, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-N-ethyl-1-(4-methoxythiophen-2-yl)ethanamine is sourced from PubChem (CID 104998879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).