1-(4-chloro-1-ethylpyrazol-5-yl)-N-ethyl-2-thiophen-3-ylethanamine

C13H18ClN3S — CID 105183136

IUPAC1-(4-chloro-1-ethylpyrazol-5-yl)-N-ethyl-2-thiophen-3-ylethanamine
SMILESCCNC(Cc1ccsc1)c1c(Cl)cnn1CC
InChIInChI=1S/C13H18ClN3S/c1-3-15-12(7-10-5-6-18-9-10)13-11(14)8-16-17(13)4-2/h5-6,8-9,12,15H,3-4,7H2,1-2H3
InChIKeyKBVHOLUJZSVPCG-UHFFFAOYSA-N
MW283.83 g/mol
LogP3.51
Rot. Bonds6

About 1-(4-chloro-1-ethylpyrazol-5-yl)-N-ethyl-2-thiophen-3-ylethanamine

1-(4-chloro-1-ethylpyrazol-5-yl)-N-ethyl-2-thiophen-3-ylethanamine (PubChem CID 105183136) has the molecular formula C13H18ClN3S and a molecular weight of 283.83 g/mol. Its IUPAC name is 1-(4-chloro-1-ethylpyrazol-5-yl)-N-ethyl-2-thiophen-3-ylethanamine.

Molecular Properties

Compound Name1-(4-chloro-1-ethylpyrazol-5-yl)-N-ethyl-2-thiophen-3-ylethanamine
PubChem CID105183136
Molecular FormulaC13H18ClN3S
Molecular Weight283.83 g/mol
Exact Mass283.09
IUPAC Name1-(4-chloro-1-ethylpyrazol-5-yl)-N-ethyl-2-thiophen-3-ylethanamine
SMILESCCNC(Cc1ccsc1)c1c(Cl)cnn1CC
InChIInChI=1S/C13H18ClN3S/c1-3-15-12(7-10-5-6-18-9-10)13-11(14)8-16-17(13)4-2/h5-6,8-9,12,15H,3-4,7H2,1-2H3
InChIKeyKBVHOLUJZSVPCG-UHFFFAOYSA-N
XLogP3.51
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.83
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chloro-1-ethylpyrazol-5-yl)-N-ethyl-2-(6-methoxy-3-pyridinyl)ethanamine
CID 114658220
1-(4-chloro-1-ethylpyrazol-5-yl)-N-ethyl-3-(4-methylphenyl)propan-1-amine
CID 105183226
1-(4-chloro-1-ethylpyrazol-5-yl)-2-(2,4-difluorophenyl)-N-ethylethanamine
CID 114652982
1-(4-chloro-1-ethylpyrazol-5-yl)-N-ethyloctan-1-amine
CID 105040888
1-(4-chloro-1-ethylpyrazol-5-yl)-N-ethylnonan-1-amine
CID 105040884
1-(4-chloro-1-ethylpyrazol-5-yl)-N-ethyl-4-thiophen-2-ylbutan-1-amine
CID 105183296
1-(4-chloro-1-ethylpyrazol-5-yl)-N-ethyl-2-propylsulfanylethanamine
CID 114653588
1-(4-chloro-1-ethylpyrazol-5-yl)-N-ethyl-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 105183138
1-(2-ethylpyrazol-3-yl)-N-methyl-2-thiophen-3-ylethanamine
CID 105148244
1-(4-bromo-1-ethylpyrazol-5-yl)-2-thiophen-3-ylethanol
CID 105127674
N-[1-(4-chloro-1-ethylpyrazol-5-yl)-2-(3-chlorophenyl)ethyl]propan-1-amine
CID 114647057
1-(3-chloro-4-methylphenyl)-N-ethyl-2-thiophen-3-ylethanamine
CID 55162373

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1-ethylpyrazol-5-yl)-N-ethyl-2-thiophen-3-ylethanamine?
The IUPAC name of 1-(4-chloro-1-ethylpyrazol-5-yl)-N-ethyl-2-thiophen-3-ylethanamine (CID 105183136) is 1-(4-chloro-1-ethylpyrazol-5-yl)-N-ethyl-2-thiophen-3-ylethanamine.
What is the SMILES notation for 1-(4-chloro-1-ethylpyrazol-5-yl)-N-ethyl-2-thiophen-3-ylethanamine?
The canonical SMILES for 1-(4-chloro-1-ethylpyrazol-5-yl)-N-ethyl-2-thiophen-3-ylethanamine is CCNC(Cc1ccsc1)c1c(Cl)cnn1CC.
What is the InChIKey of 1-(4-chloro-1-ethylpyrazol-5-yl)-N-ethyl-2-thiophen-3-ylethanamine?
The InChIKey is KBVHOLUJZSVPCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3S/c1-3-15-12(7-10-5-6-18-9-10)13-11(14)8-16-17(13)4-2/h5-6,8-9,12,15H,3-4,7H2,1-2H3.
What are the key properties of 1-(4-chloro-1-ethylpyrazol-5-yl)-N-ethyl-2-thiophen-3-ylethanamine?
1-(4-chloro-1-ethylpyrazol-5-yl)-N-ethyl-2-thiophen-3-ylethanamine has a molecular weight of 283.83 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-1-ethylpyrazol-5-yl)-N-ethyl-2-thiophen-3-ylethanamine is sourced from PubChem (CID 105183136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).