2-methoxy-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]aniline

C15H15N3OS — CID 43757837

IUPAC2-methoxy-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]aniline
SMILESCOc1ccccc1NCc1cn[nH]c1-c1cccs1
InChIInChI=1S/C15H15N3OS/c1-19-13-6-3-2-5-12(13)16-9-11-10-17-18-15(11)14-7-4-8-20-14/h2-8,10,16H,9H2,1H3,(H,17,18)
InChIKeyUYOPRPGFTDWZQG-UHFFFAOYSA-N
MW285.37 g/mol
LogP3.76
Rot. Bonds5

About 2-methoxy-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]aniline

2-methoxy-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]aniline (PubChem CID 43757837) has the molecular formula C15H15N3OS and a molecular weight of 285.37 g/mol. Its IUPAC name is 2-methoxy-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]aniline.

Molecular Properties

Compound Name2-methoxy-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]aniline
PubChem CID43757837
Molecular FormulaC15H15N3OS
Molecular Weight285.37 g/mol
Exact Mass285.09
IUPAC Name2-methoxy-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]aniline
SMILESCOc1ccccc1NCc1cn[nH]c1-c1cccs1
InChIInChI=1S/C15H15N3OS/c1-19-13-6-3-2-5-12(13)16-9-11-10-17-18-15(11)14-7-4-8-20-14/h2-8,10,16H,9H2,1H3,(H,17,18)
InChIKeyUYOPRPGFTDWZQG-UHFFFAOYSA-N
XLogP3.76
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]aniline?
The IUPAC name of 2-methoxy-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]aniline (CID 43757837) is 2-methoxy-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]aniline.
What is the SMILES notation for 2-methoxy-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]aniline?
The canonical SMILES for 2-methoxy-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]aniline is COc1ccccc1NCc1cn[nH]c1-c1cccs1.
What is the InChIKey of 2-methoxy-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]aniline?
The InChIKey is UYOPRPGFTDWZQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3OS/c1-19-13-6-3-2-5-12(13)16-9-11-10-17-18-15(11)14-7-4-8-20-14/h2-8,10,16H,9H2,1H3,(H,17,18).
What are the key properties of 2-methoxy-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]aniline?
2-methoxy-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]aniline has a molecular weight of 285.37 g/mol, XLogP of 3.76, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]aniline is sourced from PubChem (CID 43757837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).