N-methyl-1-[5-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]thiophen-2-yl]methanamine

C13H19N3OS — CID 107559042

IUPACN-methyl-1-[5-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]thiophen-2-yl]methanamine
SMILESCNCc1ccc(COc2c(C)nn(C)c2C)s1
InChIInChI=1S/C13H19N3OS/c1-9-13(10(2)16(4)15-9)17-8-12-6-5-11(18-12)7-14-3/h5-6,14H,7-8H2,1-4H3
InChIKeyRRYHADKTYBYNBJ-UHFFFAOYSA-N
MW265.38 g/mol
LogP2.40
Rot. Bonds5

About N-methyl-1-[5-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]thiophen-2-yl]methanamine

N-methyl-1-[5-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]thiophen-2-yl]methanamine (PubChem CID 107559042) has the molecular formula C13H19N3OS and a molecular weight of 265.38 g/mol. Its IUPAC name is N-methyl-1-[5-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]thiophen-2-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[5-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]thiophen-2-yl]methanamine
PubChem CID107559042
Molecular FormulaC13H19N3OS
Molecular Weight265.38 g/mol
Exact Mass265.12
IUPAC NameN-methyl-1-[5-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]thiophen-2-yl]methanamine
SMILESCNCc1ccc(COc2c(C)nn(C)c2C)s1
InChIInChI=1S/C13H19N3OS/c1-9-13(10(2)16(4)15-9)17-8-12-6-5-11(18-12)7-14-3/h5-6,14H,7-8H2,1-4H3
InChIKeyRRYHADKTYBYNBJ-UHFFFAOYSA-N
XLogP2.40
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]thiophen-2-yl]methanamine?
The IUPAC name of N-methyl-1-[5-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]thiophen-2-yl]methanamine (CID 107559042) is N-methyl-1-[5-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]thiophen-2-yl]methanamine.
What is the SMILES notation for N-methyl-1-[5-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]thiophen-2-yl]methanamine?
The canonical SMILES for N-methyl-1-[5-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]thiophen-2-yl]methanamine is CNCc1ccc(COc2c(C)nn(C)c2C)s1.
What is the InChIKey of N-methyl-1-[5-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]thiophen-2-yl]methanamine?
The InChIKey is RRYHADKTYBYNBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3OS/c1-9-13(10(2)16(4)15-9)17-8-12-6-5-11(18-12)7-14-3/h5-6,14H,7-8H2,1-4H3.
What are the key properties of N-methyl-1-[5-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]thiophen-2-yl]methanamine?
N-methyl-1-[5-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]thiophen-2-yl]methanamine has a molecular weight of 265.38 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[5-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]thiophen-2-yl]methanamine is sourced from PubChem (CID 107559042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).