1-[1-(5-ethylthiophen-2-yl)ethyl]-4-methylpyrazol-5-amine

C12H17N3S — CID 61336106

IUPAC1-[1-(5-ethylthiophen-2-yl)ethyl]-4-methylpyrazol-5-amine
SMILESCCc1ccc(C(C)n2ncc(C)c2N)s1
InChIInChI=1S/C12H17N3S/c1-4-10-5-6-11(16-10)9(3)15-12(13)8(2)7-14-15/h5-7,9H,4,13H2,1-3H3
InChIKeyGQQQFZDUZWNKKX-UHFFFAOYSA-N
MW235.36 g/mol
LogP3.01
Rot. Bonds3

About 1-[1-(5-ethylthiophen-2-yl)ethyl]-4-methylpyrazol-5-amine

1-[1-(5-ethylthiophen-2-yl)ethyl]-4-methylpyrazol-5-amine (PubChem CID 61336106) has the molecular formula C12H17N3S and a molecular weight of 235.36 g/mol. Its IUPAC name is 1-[1-(5-ethylthiophen-2-yl)ethyl]-4-methylpyrazol-5-amine.

Molecular Properties

Compound Name1-[1-(5-ethylthiophen-2-yl)ethyl]-4-methylpyrazol-5-amine
PubChem CID61336106
Molecular FormulaC12H17N3S
Molecular Weight235.36 g/mol
Exact Mass235.11
IUPAC Name1-[1-(5-ethylthiophen-2-yl)ethyl]-4-methylpyrazol-5-amine
SMILESCCc1ccc(C(C)n2ncc(C)c2N)s1
InChIInChI=1S/C12H17N3S/c1-4-10-5-6-11(16-10)9(3)15-12(13)8(2)7-14-15/h5-7,9H,4,13H2,1-3H3
InChIKeyGQQQFZDUZWNKKX-UHFFFAOYSA-N
XLogP3.01
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.36
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(5-ethylthiophen-2-yl)ethyl]-4-methylpyrazol-5-amine?
The IUPAC name of 1-[1-(5-ethylthiophen-2-yl)ethyl]-4-methylpyrazol-5-amine (CID 61336106) is 1-[1-(5-ethylthiophen-2-yl)ethyl]-4-methylpyrazol-5-amine.
What is the SMILES notation for 1-[1-(5-ethylthiophen-2-yl)ethyl]-4-methylpyrazol-5-amine?
The canonical SMILES for 1-[1-(5-ethylthiophen-2-yl)ethyl]-4-methylpyrazol-5-amine is CCc1ccc(C(C)n2ncc(C)c2N)s1.
What is the InChIKey of 1-[1-(5-ethylthiophen-2-yl)ethyl]-4-methylpyrazol-5-amine?
The InChIKey is GQQQFZDUZWNKKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3S/c1-4-10-5-6-11(16-10)9(3)15-12(13)8(2)7-14-15/h5-7,9H,4,13H2,1-3H3.
What are the key properties of 1-[1-(5-ethylthiophen-2-yl)ethyl]-4-methylpyrazol-5-amine?
1-[1-(5-ethylthiophen-2-yl)ethyl]-4-methylpyrazol-5-amine has a molecular weight of 235.36 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5-ethylthiophen-2-yl)ethyl]-4-methylpyrazol-5-amine is sourced from PubChem (CID 61336106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).