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

C14H20ClN3S — CID 104998858

IUPAC2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(5-ethylthiophen-2-yl)ethanamine
SMILESCCc1ccc(C(N)Cc2c(Cl)c(C)nn2CC)s1
InChIInChI=1S/C14H20ClN3S/c1-4-10-6-7-13(19-10)11(16)8-12-14(15)9(3)17-18(12)5-2/h6-7,11H,4-5,8,16H2,1-3H3
InChIKeyWDYIRLDWSZQYHN-UHFFFAOYSA-N
MW297.86 g/mol
LogP3.73
Rot. Bonds5

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

2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(5-ethylthiophen-2-yl)ethanamine (PubChem CID 104998858) has the molecular formula C14H20ClN3S and a molecular weight of 297.86 g/mol. Its IUPAC name is 2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(5-ethylthiophen-2-yl)ethanamine.

Molecular Properties

Compound Name2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(5-ethylthiophen-2-yl)ethanamine
PubChem CID104998858
Molecular FormulaC14H20ClN3S
Molecular Weight297.86 g/mol
Exact Mass297.11
IUPAC Name2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(5-ethylthiophen-2-yl)ethanamine
SMILESCCc1ccc(C(N)Cc2c(Cl)c(C)nn2CC)s1
InChIInChI=1S/C14H20ClN3S/c1-4-10-6-7-13(19-10)11(16)8-12-14(15)9(3)17-18(12)5-2/h6-7,11H,4-5,8,16H2,1-3H3
InChIKeyWDYIRLDWSZQYHN-UHFFFAOYSA-N
XLogP3.73
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.86
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(5-ethylthiophen-2-yl)ethanamine
CID 104996806
2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(2,5-dimethylfuran-3-yl)ethanamine
CID 104998793
2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(3,4-dichlorophenyl)ethanamine
CID 81491483
2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(1-methylimidazol-4-yl)ethanamine
CID 114023077
1-(5-bromo-2-methylphenyl)-2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)ethanamine
CID 104998909
2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(5-chlorothiophen-2-yl)ethanamine
CID 105002359
2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(1,5-dimethylpyrazol-4-yl)ethanamine
CID 105160013
(1S)-1-[4-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methoxy]phenyl]propan-1-amine
CID 79025747
1-(2-bromo-6-fluorophenyl)-2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)ethanamine
CID 114886690
2-amino-2-(5-ethylthiophen-2-yl)ethanol
CID 62345942
3-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1,1-diethoxypropan-2-amine
CID 79495382
1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)hexan-2-amine
CID 79411894

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(5-ethylthiophen-2-yl)ethanamine?
The IUPAC name of 2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(5-ethylthiophen-2-yl)ethanamine (CID 104998858) is 2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(5-ethylthiophen-2-yl)ethanamine.
What is the SMILES notation for 2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(5-ethylthiophen-2-yl)ethanamine?
The canonical SMILES for 2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(5-ethylthiophen-2-yl)ethanamine is CCc1ccc(C(N)Cc2c(Cl)c(C)nn2CC)s1.
What is the InChIKey of 2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(5-ethylthiophen-2-yl)ethanamine?
The InChIKey is WDYIRLDWSZQYHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3S/c1-4-10-6-7-13(19-10)11(16)8-12-14(15)9(3)17-18(12)5-2/h6-7,11H,4-5,8,16H2,1-3H3.
What are the key properties of 2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(5-ethylthiophen-2-yl)ethanamine?
2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(5-ethylthiophen-2-yl)ethanamine has a molecular weight of 297.86 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(5-ethylthiophen-2-yl)ethanamine is sourced from PubChem (CID 104998858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).