1-(3-chlorothiophen-2-yl)-2-(1-methylpyrazol-3-yl)ethanamine

C10H12ClN3S — CID 105025612

IUPAC1-(3-chlorothiophen-2-yl)-2-(1-methylpyrazol-3-yl)ethanamine
SMILESCn1ccc(CC(N)c2sccc2Cl)n1
InChIInChI=1S/C10H12ClN3S/c1-14-4-2-7(13-14)6-9(12)10-8(11)3-5-15-10/h2-5,9H,6,12H2,1H3
InChIKeyVKMRZFKNUZSVPX-UHFFFAOYSA-N
MW241.75 g/mol
LogP2.38
Rot. Bonds3

About 1-(3-chlorothiophen-2-yl)-2-(1-methylpyrazol-3-yl)ethanamine

1-(3-chlorothiophen-2-yl)-2-(1-methylpyrazol-3-yl)ethanamine (PubChem CID 105025612) has the molecular formula C10H12ClN3S and a molecular weight of 241.75 g/mol. Its IUPAC name is 1-(3-chlorothiophen-2-yl)-2-(1-methylpyrazol-3-yl)ethanamine.

Molecular Properties

Compound Name1-(3-chlorothiophen-2-yl)-2-(1-methylpyrazol-3-yl)ethanamine
PubChem CID105025612
Molecular FormulaC10H12ClN3S
Molecular Weight241.75 g/mol
Exact Mass241.04
IUPAC Name1-(3-chlorothiophen-2-yl)-2-(1-methylpyrazol-3-yl)ethanamine
SMILESCn1ccc(CC(N)c2sccc2Cl)n1
InChIInChI=1S/C10H12ClN3S/c1-14-4-2-7(13-14)6-9(12)10-8(11)3-5-15-10/h2-5,9H,6,12H2,1H3
InChIKeyVKMRZFKNUZSVPX-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

1-(3-chlorothiophen-2-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine
CID 104997878
1-(3-chlorothiophen-2-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 105019424
2-(1-methylpyrazol-3-yl)-1-(1,3-thiazol-5-yl)ethanamine
CID 82878134
[2-(1-methylpyrazol-3-yl)-1-(3-methylthiophen-2-yl)ethyl]hydrazine
CID 105329598
1-(3-chloro-2-fluorophenyl)-2-(1-methylpyrazol-3-yl)ethanamine
CID 82877940
1-(5-chloro-2-pyridinyl)-2-(1-methylpyrazol-3-yl)ethanamine
CID 82876697
2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(3-chlorothiophen-2-yl)ethanamine
CID 104994609
1-(3-chlorothiophen-2-yl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanamine
CID 105002800
(1R)-1-(3-chlorothiophen-2-yl)-2-methoxyethanamine
CID 130987016
(1R)-1-(3-chlorothiophen-2-yl)-2-fluoroethanamine
CID 130714620
2-(1-methylpyrazol-3-yl)-1-pyrimidin-5-ylethanamine
CID 102923732
2-(1-methylpyrazol-3-yl)-1-(1,2,5-thiadiazol-3-yl)ethanamine
CID 105175038

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorothiophen-2-yl)-2-(1-methylpyrazol-3-yl)ethanamine?
The IUPAC name of 1-(3-chlorothiophen-2-yl)-2-(1-methylpyrazol-3-yl)ethanamine (CID 105025612) is 1-(3-chlorothiophen-2-yl)-2-(1-methylpyrazol-3-yl)ethanamine.
What is the SMILES notation for 1-(3-chlorothiophen-2-yl)-2-(1-methylpyrazol-3-yl)ethanamine?
The canonical SMILES for 1-(3-chlorothiophen-2-yl)-2-(1-methylpyrazol-3-yl)ethanamine is Cn1ccc(CC(N)c2sccc2Cl)n1.
What is the InChIKey of 1-(3-chlorothiophen-2-yl)-2-(1-methylpyrazol-3-yl)ethanamine?
The InChIKey is VKMRZFKNUZSVPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3S/c1-14-4-2-7(13-14)6-9(12)10-8(11)3-5-15-10/h2-5,9H,6,12H2,1H3.
What are the key properties of 1-(3-chlorothiophen-2-yl)-2-(1-methylpyrazol-3-yl)ethanamine?
1-(3-chlorothiophen-2-yl)-2-(1-methylpyrazol-3-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-(3-chlorothiophen-2-yl)-2-(1-methylpyrazol-3-yl)ethanamine is sourced from PubChem (CID 105025612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).