N-[[5-[(1-methylpyrazol-4-yl)oxymethyl]thiophen-2-yl]methyl]propan-2-amine

C13H19N3OS — CID 107559282

IUPACN-[[5-[(1-methylpyrazol-4-yl)oxymethyl]thiophen-2-yl]methyl]propan-2-amine
SMILESCC(C)NCc1ccc(COc2cnn(C)c2)s1
InChIInChI=1S/C13H19N3OS/c1-10(2)14-7-12-4-5-13(18-12)9-17-11-6-15-16(3)8-11/h4-6,8,10,14H,7,9H2,1-3H3
InChIKeyIMEOJZWFAXDLRB-UHFFFAOYSA-N
MW265.38 g/mol
LogP2.56
Rot. Bonds6

About N-[[5-[(1-methylpyrazol-4-yl)oxymethyl]thiophen-2-yl]methyl]propan-2-amine

N-[[5-[(1-methylpyrazol-4-yl)oxymethyl]thiophen-2-yl]methyl]propan-2-amine (PubChem CID 107559282) has the molecular formula C13H19N3OS and a molecular weight of 265.38 g/mol. Its IUPAC name is N-[[5-[(1-methylpyrazol-4-yl)oxymethyl]thiophen-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-[(1-methylpyrazol-4-yl)oxymethyl]thiophen-2-yl]methyl]propan-2-amine
PubChem CID107559282
Molecular FormulaC13H19N3OS
Molecular Weight265.38 g/mol
Exact Mass265.12
IUPAC NameN-[[5-[(1-methylpyrazol-4-yl)oxymethyl]thiophen-2-yl]methyl]propan-2-amine
SMILESCC(C)NCc1ccc(COc2cnn(C)c2)s1
InChIInChI=1S/C13H19N3OS/c1-10(2)14-7-12-4-5-13(18-12)9-17-11-6-15-16(3)8-11/h4-6,8,10,14H,7,9H2,1-3H3
InChIKeyIMEOJZWFAXDLRB-UHFFFAOYSA-N
XLogP2.56
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[5-[(1-methylpyrazol-4-yl)oxymethyl]thiophen-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[5-[(1-methylpyrazol-4-yl)oxymethyl]thiophen-2-yl]methyl]propan-2-amine (CID 107559282) is N-[[5-[(1-methylpyrazol-4-yl)oxymethyl]thiophen-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-[(1-methylpyrazol-4-yl)oxymethyl]thiophen-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-[(1-methylpyrazol-4-yl)oxymethyl]thiophen-2-yl]methyl]propan-2-amine is CC(C)NCc1ccc(COc2cnn(C)c2)s1.
What is the InChIKey of N-[[5-[(1-methylpyrazol-4-yl)oxymethyl]thiophen-2-yl]methyl]propan-2-amine?
The InChIKey is IMEOJZWFAXDLRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3OS/c1-10(2)14-7-12-4-5-13(18-12)9-17-11-6-15-16(3)8-11/h4-6,8,10,14H,7,9H2,1-3H3.
What are the key properties of N-[[5-[(1-methylpyrazol-4-yl)oxymethyl]thiophen-2-yl]methyl]propan-2-amine?
N-[[5-[(1-methylpyrazol-4-yl)oxymethyl]thiophen-2-yl]methyl]propan-2-amine has a molecular weight of 265.38 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(1-methylpyrazol-4-yl)oxymethyl]thiophen-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 107559282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).