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

C16H17N3S — CID 61166529

IUPACN-[(2-pyrazol-1-ylphenyl)methyl]-1-thiophen-2-ylethanamine
SMILESCC(NCc1ccccc1-n1cccn1)c1cccs1
InChIInChI=1S/C16H17N3S/c1-13(16-8-4-11-20-16)17-12-14-6-2-3-7-15(14)19-10-5-9-18-19/h2-11,13,17H,12H2,1H3
InChIKeyFSYPEXLUUPSREH-UHFFFAOYSA-N
MW283.40 g/mol
LogP3.78
Rot. Bonds5

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

N-[(2-pyrazol-1-ylphenyl)methyl]-1-thiophen-2-ylethanamine (PubChem CID 61166529) has the molecular formula C16H17N3S and a molecular weight of 283.40 g/mol. Its IUPAC name is N-[(2-pyrazol-1-ylphenyl)methyl]-1-thiophen-2-ylethanamine.

Molecular Properties

Compound NameN-[(2-pyrazol-1-ylphenyl)methyl]-1-thiophen-2-ylethanamine
PubChem CID61166529
Molecular FormulaC16H17N3S
Molecular Weight283.40 g/mol
Exact Mass283.11
IUPAC NameN-[(2-pyrazol-1-ylphenyl)methyl]-1-thiophen-2-ylethanamine
SMILESCC(NCc1ccccc1-n1cccn1)c1cccs1
InChIInChI=1S/C16H17N3S/c1-13(16-8-4-11-20-16)17-12-14-6-2-3-7-15(14)19-10-5-9-18-19/h2-11,13,17H,12H2,1H3
InChIKeyFSYPEXLUUPSREH-UHFFFAOYSA-N
XLogP3.78
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-pyrazol-1-ylphenyl)methyl]but-3-yn-2-amine
CID 113482433
2-[[[(1S)-1-thiophen-2-ylethyl]amino]methyl]phenol
CID 28683494
1-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]-3-[(2-pyrazol-1-ylphenyl)methyl]urea
CID 97317620
N-[(2-pyrazol-1-ylphenyl)methyl]heptan-4-amine
CID 61167489
N-[(2-fluorophenyl)methyl]-1-thiophen-2-ylethanamine
CID 43178818
(1S)-N-(naphthalen-1-ylmethyl)-1-thiophen-2-ylethanamine
CID 28683348
(1R)-N-[(2-methoxy-3-pyridinyl)methyl]-1-thiophen-2-ylethanamine
CID 81408582
(1S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-thiophen-2-ylethanamine
CID 81398244
(1R)-N-[(2-methylpyrazol-3-yl)methyl]-1-thiophen-2-ylethanamine
CID 81399075
(1R)-N-[(2-cyclopropylphenyl)methyl]-1-thiophen-2-ylethanamine
CID 81398472
2-[(1-thiophen-2-ylethylamino)methyl]benzonitrile
CID 43401659
(1S)-N-[(1-ethylimidazol-2-yl)methyl]-1-thiophen-2-ylethanamine
CID 81398756

Frequently Asked Questions

What is the IUPAC name of N-[(2-pyrazol-1-ylphenyl)methyl]-1-thiophen-2-ylethanamine?
The IUPAC name of N-[(2-pyrazol-1-ylphenyl)methyl]-1-thiophen-2-ylethanamine (CID 61166529) is N-[(2-pyrazol-1-ylphenyl)methyl]-1-thiophen-2-ylethanamine.
What is the SMILES notation for N-[(2-pyrazol-1-ylphenyl)methyl]-1-thiophen-2-ylethanamine?
The canonical SMILES for N-[(2-pyrazol-1-ylphenyl)methyl]-1-thiophen-2-ylethanamine is CC(NCc1ccccc1-n1cccn1)c1cccs1.
What is the InChIKey of N-[(2-pyrazol-1-ylphenyl)methyl]-1-thiophen-2-ylethanamine?
The InChIKey is FSYPEXLUUPSREH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3S/c1-13(16-8-4-11-20-16)17-12-14-6-2-3-7-15(14)19-10-5-9-18-19/h2-11,13,17H,12H2,1H3.
What are the key properties of N-[(2-pyrazol-1-ylphenyl)methyl]-1-thiophen-2-ylethanamine?
N-[(2-pyrazol-1-ylphenyl)methyl]-1-thiophen-2-ylethanamine has a molecular weight of 283.40 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-pyrazol-1-ylphenyl)methyl]-1-thiophen-2-ylethanamine is sourced from PubChem (CID 61166529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).