[5-[(1-methylpyrazol-4-yl)oxymethyl]thiophen-2-yl]methanamine

C10H13N3OS — CID 107559280

IUPAC[5-[(1-methylpyrazol-4-yl)oxymethyl]thiophen-2-yl]methanamine
SMILESCn1cc(OCc2ccc(CN)s2)cn1
InChIInChI=1S/C10H13N3OS/c1-13-6-8(5-12-13)14-7-10-3-2-9(4-11)15-10/h2-3,5-6H,4,7,11H2,1H3
InChIKeyCSPUHAUYPCRVIN-UHFFFAOYSA-N
MW223.30 g/mol
LogP1.52
Rot. Bonds4

About [5-[(1-methylpyrazol-4-yl)oxymethyl]thiophen-2-yl]methanamine

[5-[(1-methylpyrazol-4-yl)oxymethyl]thiophen-2-yl]methanamine (PubChem CID 107559280) has the molecular formula C10H13N3OS and a molecular weight of 223.30 g/mol. Its IUPAC name is [5-[(1-methylpyrazol-4-yl)oxymethyl]thiophen-2-yl]methanamine.

Molecular Properties

Compound Name[5-[(1-methylpyrazol-4-yl)oxymethyl]thiophen-2-yl]methanamine
PubChem CID107559280
Molecular FormulaC10H13N3OS
Molecular Weight223.30 g/mol
Exact Mass223.08
IUPAC Name[5-[(1-methylpyrazol-4-yl)oxymethyl]thiophen-2-yl]methanamine
SMILESCn1cc(OCc2ccc(CN)s2)cn1
InChIInChI=1S/C10H13N3OS/c1-13-6-8(5-12-13)14-7-10-3-2-9(4-11)15-10/h2-3,5-6H,4,7,11H2,1H3
InChIKeyCSPUHAUYPCRVIN-UHFFFAOYSA-N
XLogP1.52
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-[(1-methylpyrazol-4-yl)oxymethyl]thiophen-2-yl]methanamine?
The IUPAC name of [5-[(1-methylpyrazol-4-yl)oxymethyl]thiophen-2-yl]methanamine (CID 107559280) is [5-[(1-methylpyrazol-4-yl)oxymethyl]thiophen-2-yl]methanamine.
What is the SMILES notation for [5-[(1-methylpyrazol-4-yl)oxymethyl]thiophen-2-yl]methanamine?
The canonical SMILES for [5-[(1-methylpyrazol-4-yl)oxymethyl]thiophen-2-yl]methanamine is Cn1cc(OCc2ccc(CN)s2)cn1.
What is the InChIKey of [5-[(1-methylpyrazol-4-yl)oxymethyl]thiophen-2-yl]methanamine?
The InChIKey is CSPUHAUYPCRVIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3OS/c1-13-6-8(5-12-13)14-7-10-3-2-9(4-11)15-10/h2-3,5-6H,4,7,11H2,1H3.
What are the key properties of [5-[(1-methylpyrazol-4-yl)oxymethyl]thiophen-2-yl]methanamine?
[5-[(1-methylpyrazol-4-yl)oxymethyl]thiophen-2-yl]methanamine has a molecular weight of 223.30 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(1-methylpyrazol-4-yl)oxymethyl]thiophen-2-yl]methanamine is sourced from PubChem (CID 107559280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).