2-chloro-N-(2-pyrazol-1-ylethyl)thiophen-3-amine

C9H10ClN3S — CID 130637704

IUPAC2-chloro-N-(2-pyrazol-1-ylethyl)thiophen-3-amine
SMILESClc1sccc1NCCn1cccn1
InChIInChI=1S/C9H10ClN3S/c10-9-8(2-7-14-9)11-4-6-13-5-1-3-12-13/h1-3,5,7,11H,4,6H2
InChIKeySMJKGJDTHFRLIW-UHFFFAOYSA-N
MW227.72 g/mol
LogP2.71
Rot. Bonds4

About 2-chloro-N-(2-pyrazol-1-ylethyl)thiophen-3-amine

2-chloro-N-(2-pyrazol-1-ylethyl)thiophen-3-amine (PubChem CID 130637704) has the molecular formula C9H10ClN3S and a molecular weight of 227.72 g/mol. Its IUPAC name is 2-chloro-N-(2-pyrazol-1-ylethyl)thiophen-3-amine.

Molecular Properties

Compound Name2-chloro-N-(2-pyrazol-1-ylethyl)thiophen-3-amine
PubChem CID130637704
Molecular FormulaC9H10ClN3S
Molecular Weight227.72 g/mol
Exact Mass227.03
IUPAC Name2-chloro-N-(2-pyrazol-1-ylethyl)thiophen-3-amine
SMILESClc1sccc1NCCn1cccn1
InChIInChI=1S/C9H10ClN3S/c10-9-8(2-7-14-9)11-4-6-13-5-1-3-12-13/h1-3,5,7,11H,4,6H2
InChIKeySMJKGJDTHFRLIW-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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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-pyrazol-1-ylethyl)thiophen-3-amine?
The IUPAC name of 2-chloro-N-(2-pyrazol-1-ylethyl)thiophen-3-amine (CID 130637704) is 2-chloro-N-(2-pyrazol-1-ylethyl)thiophen-3-amine.
What is the SMILES notation for 2-chloro-N-(2-pyrazol-1-ylethyl)thiophen-3-amine?
The canonical SMILES for 2-chloro-N-(2-pyrazol-1-ylethyl)thiophen-3-amine is Clc1sccc1NCCn1cccn1.
What is the InChIKey of 2-chloro-N-(2-pyrazol-1-ylethyl)thiophen-3-amine?
The InChIKey is SMJKGJDTHFRLIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN3S/c10-9-8(2-7-14-9)11-4-6-13-5-1-3-12-13/h1-3,5,7,11H,4,6H2.
What are the key properties of 2-chloro-N-(2-pyrazol-1-ylethyl)thiophen-3-amine?
2-chloro-N-(2-pyrazol-1-ylethyl)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 2-chloro-N-(2-pyrazol-1-ylethyl)thiophen-3-amine is sourced from PubChem (CID 130637704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).