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

C15H23N3OS — CID 107559045

IUPACN-[[5-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]thiophen-2-yl]methyl]propan-2-amine
SMILESCc1nn(C)c(C)c1OCc1ccc(CNC(C)C)s1
InChIInChI=1S/C15H23N3OS/c1-10(2)16-8-13-6-7-14(20-13)9-19-15-11(3)17-18(5)12(15)4/h6-7,10,16H,8-9H2,1-5H3
InChIKeyIABKFNIWDJSDGK-UHFFFAOYSA-N
MW293.44 g/mol
LogP3.18
Rot. Bonds6

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

N-[[5-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]thiophen-2-yl]methyl]propan-2-amine (PubChem CID 107559045) has the molecular formula C15H23N3OS and a molecular weight of 293.44 g/mol. Its IUPAC name is N-[[5-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]thiophen-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]thiophen-2-yl]methyl]propan-2-amine
PubChem CID107559045
Molecular FormulaC15H23N3OS
Molecular Weight293.44 g/mol
Exact Mass293.16
IUPAC NameN-[[5-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]thiophen-2-yl]methyl]propan-2-amine
SMILESCc1nn(C)c(C)c1OCc1ccc(CNC(C)C)s1
InChIInChI=1S/C15H23N3OS/c1-10(2)16-8-13-6-7-14(20-13)9-19-15-11(3)17-18(5)12(15)4/h6-7,10,16H,8-9H2,1-5H3
InChIKeyIABKFNIWDJSDGK-UHFFFAOYSA-N
XLogP3.18
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.44
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[5-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]thiophen-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[5-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]thiophen-2-yl]methyl]propan-2-amine (CID 107559045) is N-[[5-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]thiophen-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]thiophen-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]thiophen-2-yl]methyl]propan-2-amine is Cc1nn(C)c(C)c1OCc1ccc(CNC(C)C)s1.
What is the InChIKey of N-[[5-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]thiophen-2-yl]methyl]propan-2-amine?
The InChIKey is IABKFNIWDJSDGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3OS/c1-10(2)16-8-13-6-7-14(20-13)9-19-15-11(3)17-18(5)12(15)4/h6-7,10,16H,8-9H2,1-5H3.
What are the key properties of N-[[5-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]thiophen-2-yl]methyl]propan-2-amine?
N-[[5-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]thiophen-2-yl]methyl]propan-2-amine has a molecular weight of 293.44 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]thiophen-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 107559045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).