N-[1-(2,5-dichlorothiophen-3-yl)ethyl]-3-ethyl-1-methylpyrazol-4-amine

C12H15Cl2N3S — CID 103932506

IUPACN-[1-(2,5-dichlorothiophen-3-yl)ethyl]-3-ethyl-1-methylpyrazol-4-amine
SMILESCCc1nn(C)cc1NC(C)c1cc(Cl)sc1Cl
InChIInChI=1S/C12H15Cl2N3S/c1-4-9-10(6-17(3)16-9)15-7(2)8-5-11(13)18-12(8)14/h5-7,15H,4H2,1-3H3
InChIKeyJGPUVYSERWQWNK-UHFFFAOYSA-N
MW304.25 g/mol
LogP4.52
Rot. Bonds4

About N-[1-(2,5-dichlorothiophen-3-yl)ethyl]-3-ethyl-1-methylpyrazol-4-amine

N-[1-(2,5-dichlorothiophen-3-yl)ethyl]-3-ethyl-1-methylpyrazol-4-amine (PubChem CID 103932506) has the molecular formula C12H15Cl2N3S and a molecular weight of 304.25 g/mol. Its IUPAC name is N-[1-(2,5-dichlorothiophen-3-yl)ethyl]-3-ethyl-1-methylpyrazol-4-amine.

Molecular Properties

Compound NameN-[1-(2,5-dichlorothiophen-3-yl)ethyl]-3-ethyl-1-methylpyrazol-4-amine
PubChem CID103932506
Molecular FormulaC12H15Cl2N3S
Molecular Weight304.25 g/mol
Exact Mass303.04
IUPAC NameN-[1-(2,5-dichlorothiophen-3-yl)ethyl]-3-ethyl-1-methylpyrazol-4-amine
SMILESCCc1nn(C)cc1NC(C)c1cc(Cl)sc1Cl
InChIInChI=1S/C12H15Cl2N3S/c1-4-9-10(6-17(3)16-9)15-7(2)8-5-11(13)18-12(8)14/h5-7,15H,4H2,1-3H3
InChIKeyJGPUVYSERWQWNK-UHFFFAOYSA-N
XLogP4.52
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.25
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-ethyl-1-methylpyrazol-4-amine
CID 113354221
3-ethyl-N-[1-(3-methoxy-1,2-thiazol-4-yl)ethyl]-1-methylpyrazol-4-amine
CID 139018917
3-ethyl-1-methyl-N-(1-thiophen-2-ylethyl)pyrazol-4-amine
CID 115923197
N-[1-(5-bromo-2-fluorophenyl)ethyl]-3-ethyl-1-methylpyrazol-4-amine
CID 103932643
1-(2,5-dichlorothiophen-3-yl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]ethanamine
CID 114082787
3-ethyl-N-[1-(2-methoxy-5-methylphenyl)ethyl]-1-methylpyrazol-4-amine
CID 103932597
3-ethyl-1-methyl-N-pentan-2-ylpyrazol-4-amine
CID 115923160
3-ethyl-1-methyl-N-(2-methylpentan-3-yl)pyrazol-4-amine
CID 115923153
N-[1-(2,5-dichlorothiophen-3-yl)ethyl]propan-1-amine
CID 43497740
3-ethyl-N-[1-(4-fluoro-3-methoxyphenyl)ethyl]-1-methylpyrazol-4-amine
CID 103932487
N-(1,1-dimethoxypropan-2-yl)-3-ethyl-1-methylpyrazol-4-amine
CID 107462393
3-ethyl-1-methyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]pyrazol-4-amine
CID 103932470

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dichlorothiophen-3-yl)ethyl]-3-ethyl-1-methylpyrazol-4-amine?
The IUPAC name of N-[1-(2,5-dichlorothiophen-3-yl)ethyl]-3-ethyl-1-methylpyrazol-4-amine (CID 103932506) is N-[1-(2,5-dichlorothiophen-3-yl)ethyl]-3-ethyl-1-methylpyrazol-4-amine.
What is the SMILES notation for N-[1-(2,5-dichlorothiophen-3-yl)ethyl]-3-ethyl-1-methylpyrazol-4-amine?
The canonical SMILES for N-[1-(2,5-dichlorothiophen-3-yl)ethyl]-3-ethyl-1-methylpyrazol-4-amine is CCc1nn(C)cc1NC(C)c1cc(Cl)sc1Cl.
What is the InChIKey of N-[1-(2,5-dichlorothiophen-3-yl)ethyl]-3-ethyl-1-methylpyrazol-4-amine?
The InChIKey is JGPUVYSERWQWNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2N3S/c1-4-9-10(6-17(3)16-9)15-7(2)8-5-11(13)18-12(8)14/h5-7,15H,4H2,1-3H3.
What are the key properties of N-[1-(2,5-dichlorothiophen-3-yl)ethyl]-3-ethyl-1-methylpyrazol-4-amine?
N-[1-(2,5-dichlorothiophen-3-yl)ethyl]-3-ethyl-1-methylpyrazol-4-amine has a molecular weight of 304.25 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dichlorothiophen-3-yl)ethyl]-3-ethyl-1-methylpyrazol-4-amine is sourced from PubChem (CID 103932506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).