1-(5-chlorothiophen-2-yl)-2-(1-methylpyrazol-4-yl)ethanamine

C10H12ClN3S — CID 115821386

IUPAC1-(5-chlorothiophen-2-yl)-2-(1-methylpyrazol-4-yl)ethanamine
SMILESCn1cc(CC(N)c2ccc(Cl)s2)cn1
InChIInChI=1S/C10H12ClN3S/c1-14-6-7(5-13-14)4-8(12)9-2-3-10(11)15-9/h2-3,5-6,8H,4,12H2,1H3
InChIKeyRZXCJOKOHCNNOM-UHFFFAOYSA-N
MW241.75 g/mol
LogP2.38
Rot. Bonds3

About 1-(5-chlorothiophen-2-yl)-2-(1-methylpyrazol-4-yl)ethanamine

1-(5-chlorothiophen-2-yl)-2-(1-methylpyrazol-4-yl)ethanamine (PubChem CID 115821386) has the molecular formula C10H12ClN3S and a molecular weight of 241.75 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-2-(1-methylpyrazol-4-yl)ethanamine.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-2-(1-methylpyrazol-4-yl)ethanamine
PubChem CID115821386
Molecular FormulaC10H12ClN3S
Molecular Weight241.75 g/mol
Exact Mass241.04
IUPAC Name1-(5-chlorothiophen-2-yl)-2-(1-methylpyrazol-4-yl)ethanamine
SMILESCn1cc(CC(N)c2ccc(Cl)s2)cn1
InChIInChI=1S/C10H12ClN3S/c1-14-6-7(5-13-14)4-8(12)9-2-3-10(11)15-9/h2-3,5-6,8H,4,12H2,1H3
InChIKeyRZXCJOKOHCNNOM-UHFFFAOYSA-N
XLogP2.38
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.75
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-methylpyrazol-4-yl)-1-thiophen-2-ylethanamine
CID 62127678
1-(4-methylphenyl)-2-(1-methylpyrazol-4-yl)ethanamine
CID 62125918
2-methyl-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 62505178
1-(5-chlorothiophen-2-yl)-2-(4-iodophenyl)ethanamine
CID 115864081
1-(5-ethylthiophen-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103029878
2-(1-methylpyrazol-4-yl)-1-pyrimidin-5-ylethanamine
CID 102923318
1-(3-bromothiophen-2-yl)-2-(1-methylpyrazol-4-yl)ethanamine
CID 115821985
2-(1-methylpyrazol-4-yl)-1-(4-methyl-3-pyridinyl)ethanamine
CID 114877993
1-(2-iodophenyl)-2-(1-methylpyrazol-4-yl)ethanamine
CID 115821792
1-(1,5-dimethylpyrazol-4-yl)-2-(1-methylpyrazol-4-yl)ethanamine
CID 105114026
1-(5-methylpyrazin-2-yl)-2-(1-methylpyrazol-4-yl)ethanamine
CID 105114103
2-(1-methylpyrazol-4-yl)-1-pyrimidin-4-ylethanamine
CID 63989977

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-2-(1-methylpyrazol-4-yl)ethanamine?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-2-(1-methylpyrazol-4-yl)ethanamine (CID 115821386) is 1-(5-chlorothiophen-2-yl)-2-(1-methylpyrazol-4-yl)ethanamine.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-2-(1-methylpyrazol-4-yl)ethanamine?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-2-(1-methylpyrazol-4-yl)ethanamine is Cn1cc(CC(N)c2ccc(Cl)s2)cn1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-2-(1-methylpyrazol-4-yl)ethanamine?
The InChIKey is RZXCJOKOHCNNOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3S/c1-14-6-7(5-13-14)4-8(12)9-2-3-10(11)15-9/h2-3,5-6,8H,4,12H2,1H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)-2-(1-methylpyrazol-4-yl)ethanamine?
1-(5-chlorothiophen-2-yl)-2-(1-methylpyrazol-4-yl)ethanamine has a molecular weight of 241.75 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)-2-(1-methylpyrazol-4-yl)ethanamine is sourced from PubChem (CID 115821386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).