1-(2-pyridin-4-ylethyl)-N-(thian-4-yl)pyrazol-3-amine

C15H20N4S — CID 71918477

IUPAC1-(2-pyridin-4-ylethyl)-N-(thian-4-yl)pyrazol-3-amine
SMILESc1cc(CCn2ccc(NC3CCSCC3)n2)ccn1
InChIInChI=1S/C15H20N4S/c1-7-16-8-2-13(1)3-9-19-10-4-15(18-19)17-14-5-11-20-12-6-14/h1-2,4,7-8,10,14H,3,5-6,9,11-12H2,(H,17,18)
InChIKeyMAGZYEIARYDXOA-UHFFFAOYSA-N
MW288.42 g/mol
LogP2.83
Rot. Bonds5

About 1-(2-pyridin-4-ylethyl)-N-(thian-4-yl)pyrazol-3-amine

1-(2-pyridin-4-ylethyl)-N-(thian-4-yl)pyrazol-3-amine (PubChem CID 71918477) has the molecular formula C15H20N4S and a molecular weight of 288.42 g/mol. Its IUPAC name is 1-(2-pyridin-4-ylethyl)-N-(thian-4-yl)pyrazol-3-amine.

Molecular Properties

Compound Name1-(2-pyridin-4-ylethyl)-N-(thian-4-yl)pyrazol-3-amine
PubChem CID71918477
Molecular FormulaC15H20N4S
Molecular Weight288.42 g/mol
Exact Mass288.14
IUPAC Name1-(2-pyridin-4-ylethyl)-N-(thian-4-yl)pyrazol-3-amine
SMILESc1cc(CCn2ccc(NC3CCSCC3)n2)ccn1
InChIInChI=1S/C15H20N4S/c1-7-16-8-2-13(1)3-9-19-10-4-15(18-19)17-14-5-11-20-12-6-14/h1-2,4,7-8,10,14H,3,5-6,9,11-12H2,(H,17,18)
InChIKeyMAGZYEIARYDXOA-UHFFFAOYSA-N
XLogP2.83
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-pyridin-4-ylethyl)-N-(thian-4-yl)pyrazol-3-amine?
The IUPAC name of 1-(2-pyridin-4-ylethyl)-N-(thian-4-yl)pyrazol-3-amine (CID 71918477) is 1-(2-pyridin-4-ylethyl)-N-(thian-4-yl)pyrazol-3-amine.
What is the SMILES notation for 1-(2-pyridin-4-ylethyl)-N-(thian-4-yl)pyrazol-3-amine?
The canonical SMILES for 1-(2-pyridin-4-ylethyl)-N-(thian-4-yl)pyrazol-3-amine is c1cc(CCn2ccc(NC3CCSCC3)n2)ccn1.
What is the InChIKey of 1-(2-pyridin-4-ylethyl)-N-(thian-4-yl)pyrazol-3-amine?
The InChIKey is MAGZYEIARYDXOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4S/c1-7-16-8-2-13(1)3-9-19-10-4-15(18-19)17-14-5-11-20-12-6-14/h1-2,4,7-8,10,14H,3,5-6,9,11-12H2,(H,17,18).
What are the key properties of 1-(2-pyridin-4-ylethyl)-N-(thian-4-yl)pyrazol-3-amine?
1-(2-pyridin-4-ylethyl)-N-(thian-4-yl)pyrazol-3-amine has a molecular weight of 288.42 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-pyridin-4-ylethyl)-N-(thian-4-yl)pyrazol-3-amine is sourced from PubChem (CID 71918477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).