1-(5-methylthiophen-2-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]ethanamine

C17H19N3S — CID 61472968

IUPAC1-(5-methylthiophen-2-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]ethanamine
SMILESCc1ccc(C(C)NCc2ccc(-n3cccn3)cc2)s1
InChIInChI=1S/C17H19N3S/c1-13-4-9-17(21-13)14(2)18-12-15-5-7-16(8-6-15)20-11-3-10-19-20/h3-11,14,18H,12H2,1-2H3
InChIKeyLPZXSNMSOATGAQ-UHFFFAOYSA-N
MW297.43 g/mol
LogP4.09
Rot. Bonds5

About 1-(5-methylthiophen-2-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]ethanamine

1-(5-methylthiophen-2-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]ethanamine (PubChem CID 61472968) has the molecular formula C17H19N3S and a molecular weight of 297.43 g/mol. Its IUPAC name is 1-(5-methylthiophen-2-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]ethanamine.

Molecular Properties

Compound Name1-(5-methylthiophen-2-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]ethanamine
PubChem CID61472968
Molecular FormulaC17H19N3S
Molecular Weight297.43 g/mol
Exact Mass297.13
IUPAC Name1-(5-methylthiophen-2-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]ethanamine
SMILESCc1ccc(C(C)NCc2ccc(-n3cccn3)cc2)s1
InChIInChI=1S/C17H19N3S/c1-13-4-9-17(21-13)14(2)18-12-15-5-7-16(8-6-15)20-11-3-10-19-20/h3-11,14,18H,12H2,1-2H3
InChIKeyLPZXSNMSOATGAQ-UHFFFAOYSA-N
XLogP4.09
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.43
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-(5-methylfuran-2-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]ethanamine
CID 51675926
1-(5-methylthiophen-2-yl)-N-[(4-propan-2-ylphenyl)methyl]ethanamine
CID 61472993
(1R)-1-(furan-2-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]ethanamine
CID 51675922
(1S)-1-cyclopentyl-N-[(4-pyrazol-1-ylphenyl)methyl]ethanamine
CID 81386103
1-methoxy-3-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]butan-2-amine
CID 65047843
2-[(4-pyrazol-1-ylphenyl)methylamino]propane-1,3-diol
CID 65310420
4-methoxy-N-[(4-pyrazol-1-ylphenyl)methyl]butan-2-amine
CID 62733351
1-(5-methylthiophen-2-yl)-N-[(4-nitrophenyl)methyl]ethanamine
CID 60875775
(1S)-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-1-(5-methylthiophen-2-yl)ethanamine
CID 97232757
N-propan-2-yl-2-[(4-pyrazol-1-ylphenyl)methylamino]acetamide
CID 43232183
N-[(3-chloro-4-methylphenyl)methyl]-1-(5-methylthiophen-2-yl)ethanamine
CID 106816707
1-(5-chlorothiophen-2-yl)-N-[(4-imidazol-1-ylphenyl)methyl]ethanamine
CID 43432658

Frequently Asked Questions

What is the IUPAC name of 1-(5-methylthiophen-2-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]ethanamine?
The IUPAC name of 1-(5-methylthiophen-2-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]ethanamine (CID 61472968) is 1-(5-methylthiophen-2-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]ethanamine.
What is the SMILES notation for 1-(5-methylthiophen-2-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]ethanamine?
The canonical SMILES for 1-(5-methylthiophen-2-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]ethanamine is Cc1ccc(C(C)NCc2ccc(-n3cccn3)cc2)s1.
What is the InChIKey of 1-(5-methylthiophen-2-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]ethanamine?
The InChIKey is LPZXSNMSOATGAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3S/c1-13-4-9-17(21-13)14(2)18-12-15-5-7-16(8-6-15)20-11-3-10-19-20/h3-11,14,18H,12H2,1-2H3.
What are the key properties of 1-(5-methylthiophen-2-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]ethanamine?
1-(5-methylthiophen-2-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]ethanamine has a molecular weight of 297.43 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylthiophen-2-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]ethanamine is sourced from PubChem (CID 61472968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).