N-[2-(4-chloropyrazol-1-yl)ethyl]thiophen-3-amine

C9H10ClN3S — CID 131075375

IUPACN-[2-(4-chloropyrazol-1-yl)ethyl]thiophen-3-amine
SMILESClc1cnn(CCNc2ccsc2)c1
InChIInChI=1S/C9H10ClN3S/c10-8-5-12-13(6-8)3-2-11-9-1-4-14-7-9/h1,4-7,11H,2-3H2
InChIKeyWBIHDDXLZPFJPL-UHFFFAOYSA-N
MW227.72 g/mol
LogP2.71
Rot. Bonds4

About N-[2-(4-chloropyrazol-1-yl)ethyl]thiophen-3-amine

N-[2-(4-chloropyrazol-1-yl)ethyl]thiophen-3-amine (PubChem CID 131075375) has the molecular formula C9H10ClN3S and a molecular weight of 227.72 g/mol. Its IUPAC name is N-[2-(4-chloropyrazol-1-yl)ethyl]thiophen-3-amine.

Molecular Properties

Compound NameN-[2-(4-chloropyrazol-1-yl)ethyl]thiophen-3-amine
PubChem CID131075375
Molecular FormulaC9H10ClN3S
Molecular Weight227.72 g/mol
Exact Mass227.03
IUPAC NameN-[2-(4-chloropyrazol-1-yl)ethyl]thiophen-3-amine
SMILESClc1cnn(CCNc2ccsc2)c1
InChIInChI=1S/C9H10ClN3S/c10-8-5-12-13(6-8)3-2-11-9-1-4-14-7-9/h1,4-7,11H,2-3H2
InChIKeyWBIHDDXLZPFJPL-UHFFFAOYSA-N
XLogP2.71
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.72
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-chloropyrazol-1-yl)ethyl]-2-methylbutan-2-amine
CID 62566978
N-(2-fluoroethyl)thiophen-3-amine
CID 80697712
2-(4-chloropyrazol-1-yl)-N-[2-(4-chloropyrazol-1-yl)ethyl]acetamide
CID 19283543
1-[2-(4-chloropyrazol-1-yl)ethyl]pyrazol-4-amine
CID 62139555
N-[2-(4-chloropyrazol-1-yl)ethyl]methanesulfonamide
CID 22208836
3-(4-chloropyrazol-1-yl)-N-[2-(4-chloropyrazol-1-yl)ethyl]propanamide
CID 19283459
N-[2-(4-chloropyrazol-1-yl)ethyl]pentan-3-amine
CID 62567762
2-(4-chloropyrazol-1-yl)ethanol
CID 7172186
2-(4-chloropyrazol-1-yl)ethylazanium
CID 7019314
1-[2-(propylamino)ethyl]-N-thiophen-3-ylpyrazole-4-sulfonamide
CID 106069903
N-[(4-chloro-2-fluorophenyl)methyl]thiophen-3-amine
CID 114842454
N-[2-(4-chloropyrazol-1-yl)ethyl]-3,4-dimethylbenzamide
CID 19283527

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chloropyrazol-1-yl)ethyl]thiophen-3-amine?
The IUPAC name of N-[2-(4-chloropyrazol-1-yl)ethyl]thiophen-3-amine (CID 131075375) is N-[2-(4-chloropyrazol-1-yl)ethyl]thiophen-3-amine.
What is the SMILES notation for N-[2-(4-chloropyrazol-1-yl)ethyl]thiophen-3-amine?
The canonical SMILES for N-[2-(4-chloropyrazol-1-yl)ethyl]thiophen-3-amine is Clc1cnn(CCNc2ccsc2)c1.
What is the InChIKey of N-[2-(4-chloropyrazol-1-yl)ethyl]thiophen-3-amine?
The InChIKey is WBIHDDXLZPFJPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN3S/c10-8-5-12-13(6-8)3-2-11-9-1-4-14-7-9/h1,4-7,11H,2-3H2.
What are the key properties of N-[2-(4-chloropyrazol-1-yl)ethyl]thiophen-3-amine?
N-[2-(4-chloropyrazol-1-yl)ethyl]thiophen-3-amine has a molecular weight of 227.72 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chloropyrazol-1-yl)ethyl]thiophen-3-amine is sourced from PubChem (CID 131075375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).