N-phenylmethoxy-1-(5-thiophen-2-yl-1H-pyrazol-4-yl)methanamine

C15H15N3OS — CID 82709056

IUPACN-phenylmethoxy-1-(5-thiophen-2-yl-1H-pyrazol-4-yl)methanamine
SMILESc1ccc(CONCc2cn[nH]c2-c2cccs2)cc1
InChIInChI=1S/C15H15N3OS/c1-2-5-12(6-3-1)11-19-17-10-13-9-16-18-15(13)14-7-4-8-20-14/h1-9,17H,10-11H2,(H,16,18)
InChIKeyJZRGGWLJIFERMN-UHFFFAOYSA-N
MW285.37 g/mol
LogP3.36
Rot. Bonds6

About N-phenylmethoxy-1-(5-thiophen-2-yl-1H-pyrazol-4-yl)methanamine

N-phenylmethoxy-1-(5-thiophen-2-yl-1H-pyrazol-4-yl)methanamine (PubChem CID 82709056) has the molecular formula C15H15N3OS and a molecular weight of 285.37 g/mol. Its IUPAC name is N-phenylmethoxy-1-(5-thiophen-2-yl-1H-pyrazol-4-yl)methanamine.

Molecular Properties

Compound NameN-phenylmethoxy-1-(5-thiophen-2-yl-1H-pyrazol-4-yl)methanamine
PubChem CID82709056
Molecular FormulaC15H15N3OS
Molecular Weight285.37 g/mol
Exact Mass285.09
IUPAC NameN-phenylmethoxy-1-(5-thiophen-2-yl-1H-pyrazol-4-yl)methanamine
SMILESc1ccc(CONCc2cn[nH]c2-c2cccs2)cc1
InChIInChI=1S/C15H15N3OS/c1-2-5-12(6-3-1)11-19-17-10-13-9-16-18-15(13)14-7-4-8-20-14/h1-9,17H,10-11H2,(H,16,18)
InChIKeyJZRGGWLJIFERMN-UHFFFAOYSA-N
XLogP3.36
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-phenylmethoxy-1-(5-thiophen-2-yl-1H-pyrazol-4-yl)methanamine?
The IUPAC name of N-phenylmethoxy-1-(5-thiophen-2-yl-1H-pyrazol-4-yl)methanamine (CID 82709056) is N-phenylmethoxy-1-(5-thiophen-2-yl-1H-pyrazol-4-yl)methanamine.
What is the SMILES notation for N-phenylmethoxy-1-(5-thiophen-2-yl-1H-pyrazol-4-yl)methanamine?
The canonical SMILES for N-phenylmethoxy-1-(5-thiophen-2-yl-1H-pyrazol-4-yl)methanamine is c1ccc(CONCc2cn[nH]c2-c2cccs2)cc1.
What is the InChIKey of N-phenylmethoxy-1-(5-thiophen-2-yl-1H-pyrazol-4-yl)methanamine?
The InChIKey is JZRGGWLJIFERMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3OS/c1-2-5-12(6-3-1)11-19-17-10-13-9-16-18-15(13)14-7-4-8-20-14/h1-9,17H,10-11H2,(H,16,18).
What are the key properties of N-phenylmethoxy-1-(5-thiophen-2-yl-1H-pyrazol-4-yl)methanamine?
N-phenylmethoxy-1-(5-thiophen-2-yl-1H-pyrazol-4-yl)methanamine has a molecular weight of 285.37 g/mol, XLogP of 3.36, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenylmethoxy-1-(5-thiophen-2-yl-1H-pyrazol-4-yl)methanamine is sourced from PubChem (CID 82709056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).