1-(5-methyl-2-pyridinyl)-N-[(2-pyrazol-1-ylphenyl)methyl]-2-thiophen-3-ylethanamine

C22H22N4S — CID 110222156

IUPAC1-(5-methyl-2-pyridinyl)-N-[(2-pyrazol-1-ylphenyl)methyl]-2-thiophen-3-ylethanamine
SMILESCc1ccc(C(Cc2ccsc2)NCc2ccccc2-n2cccn2)nc1
InChIInChI=1S/C22H22N4S/c1-17-7-8-20(23-14-17)21(13-18-9-12-27-16-18)24-15-19-5-2-3-6-22(19)26-11-4-10-25-26/h2-12,14,16,21,24H,13,15H2,1H3
InChIKeyZYUOIGFZJSZKKK-UHFFFAOYSA-N
MW374.51 g/mol
LogP4.71
Rot. Bonds7

About 1-(5-methyl-2-pyridinyl)-N-[(2-pyrazol-1-ylphenyl)methyl]-2-thiophen-3-ylethanamine

1-(5-methyl-2-pyridinyl)-N-[(2-pyrazol-1-ylphenyl)methyl]-2-thiophen-3-ylethanamine (PubChem CID 110222156) has the molecular formula C22H22N4S and a molecular weight of 374.51 g/mol. Its IUPAC name is 1-(5-methyl-2-pyridinyl)-N-[(2-pyrazol-1-ylphenyl)methyl]-2-thiophen-3-ylethanamine.

Molecular Properties

Compound Name1-(5-methyl-2-pyridinyl)-N-[(2-pyrazol-1-ylphenyl)methyl]-2-thiophen-3-ylethanamine
PubChem CID110222156
Molecular FormulaC22H22N4S
Molecular Weight374.51 g/mol
Exact Mass374.16
IUPAC Name1-(5-methyl-2-pyridinyl)-N-[(2-pyrazol-1-ylphenyl)methyl]-2-thiophen-3-ylethanamine
SMILESCc1ccc(C(Cc2ccsc2)NCc2ccccc2-n2cccn2)nc1
InChIInChI=1S/C22H22N4S/c1-17-7-8-20(23-14-17)21(13-18-9-12-27-16-18)24-15-19-5-2-3-6-22(19)26-11-4-10-25-26/h2-12,14,16,21,24H,13,15H2,1H3
InChIKeyZYUOIGFZJSZKKK-UHFFFAOYSA-N
XLogP4.71
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-2-pyridinyl)-N-[(2-pyrazol-1-ylphenyl)methyl]-2-thiophen-3-ylethanamine?
The IUPAC name of 1-(5-methyl-2-pyridinyl)-N-[(2-pyrazol-1-ylphenyl)methyl]-2-thiophen-3-ylethanamine (CID 110222156) is 1-(5-methyl-2-pyridinyl)-N-[(2-pyrazol-1-ylphenyl)methyl]-2-thiophen-3-ylethanamine.
What is the SMILES notation for 1-(5-methyl-2-pyridinyl)-N-[(2-pyrazol-1-ylphenyl)methyl]-2-thiophen-3-ylethanamine?
The canonical SMILES for 1-(5-methyl-2-pyridinyl)-N-[(2-pyrazol-1-ylphenyl)methyl]-2-thiophen-3-ylethanamine is Cc1ccc(C(Cc2ccsc2)NCc2ccccc2-n2cccn2)nc1.
What is the InChIKey of 1-(5-methyl-2-pyridinyl)-N-[(2-pyrazol-1-ylphenyl)methyl]-2-thiophen-3-ylethanamine?
The InChIKey is ZYUOIGFZJSZKKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4S/c1-17-7-8-20(23-14-17)21(13-18-9-12-27-16-18)24-15-19-5-2-3-6-22(19)26-11-4-10-25-26/h2-12,14,16,21,24H,13,15H2,1H3.
What are the key properties of 1-(5-methyl-2-pyridinyl)-N-[(2-pyrazol-1-ylphenyl)methyl]-2-thiophen-3-ylethanamine?
1-(5-methyl-2-pyridinyl)-N-[(2-pyrazol-1-ylphenyl)methyl]-2-thiophen-3-ylethanamine has a molecular weight of 374.51 g/mol, XLogP of 4.71, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-2-pyridinyl)-N-[(2-pyrazol-1-ylphenyl)methyl]-2-thiophen-3-ylethanamine is sourced from PubChem (CID 110222156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).