5-(5-chlorothiophen-2-yl)-4-ethyl-1H-pyrazol-3-amine

C9H10ClN3S — CID 62278595

IUPAC5-(5-chlorothiophen-2-yl)-4-ethyl-1H-pyrazol-3-amine
SMILESCCc1c(N)n[nH]c1-c1ccc(Cl)s1
InChIInChI=1S/C9H10ClN3S/c1-2-5-8(12-13-9(5)11)6-3-4-7(10)14-6/h3-4H,2H2,1H3,(H3,11,12,13)
InChIKeyLKDGFIRXYBODMO-UHFFFAOYSA-N
MW227.72 g/mol
LogP2.94
Rot. Bonds2

About 5-(5-chlorothiophen-2-yl)-4-ethyl-1H-pyrazol-3-amine

5-(5-chlorothiophen-2-yl)-4-ethyl-1H-pyrazol-3-amine (PubChem CID 62278595) has the molecular formula C9H10ClN3S and a molecular weight of 227.72 g/mol. Its IUPAC name is 5-(5-chlorothiophen-2-yl)-4-ethyl-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(5-chlorothiophen-2-yl)-4-ethyl-1H-pyrazol-3-amine
PubChem CID62278595
Molecular FormulaC9H10ClN3S
Molecular Weight227.72 g/mol
Exact Mass227.03
IUPAC Name5-(5-chlorothiophen-2-yl)-4-ethyl-1H-pyrazol-3-amine
SMILESCCc1c(N)n[nH]c1-c1ccc(Cl)s1
InChIInChI=1S/C9H10ClN3S/c1-2-5-8(12-13-9(5)11)6-3-4-7(10)14-6/h3-4H,2H2,1H3,(H3,11,12,13)
InChIKeyLKDGFIRXYBODMO-UHFFFAOYSA-N
XLogP2.94
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.72
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(5-chlorothiophen-2-yl)-4-ethyl-1H-pyrazol-3-amine?
The IUPAC name of 5-(5-chlorothiophen-2-yl)-4-ethyl-1H-pyrazol-3-amine (CID 62278595) is 5-(5-chlorothiophen-2-yl)-4-ethyl-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(5-chlorothiophen-2-yl)-4-ethyl-1H-pyrazol-3-amine?
The canonical SMILES for 5-(5-chlorothiophen-2-yl)-4-ethyl-1H-pyrazol-3-amine is CCc1c(N)n[nH]c1-c1ccc(Cl)s1.
What is the InChIKey of 5-(5-chlorothiophen-2-yl)-4-ethyl-1H-pyrazol-3-amine?
The InChIKey is LKDGFIRXYBODMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN3S/c1-2-5-8(12-13-9(5)11)6-3-4-7(10)14-6/h3-4H,2H2,1H3,(H3,11,12,13).
What are the key properties of 5-(5-chlorothiophen-2-yl)-4-ethyl-1H-pyrazol-3-amine?
5-(5-chlorothiophen-2-yl)-4-ethyl-1H-pyrazol-3-amine has a molecular weight of 227.72 g/mol, XLogP of 2.94, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chlorothiophen-2-yl)-4-ethyl-1H-pyrazol-3-amine is sourced from PubChem (CID 62278595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).