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

C14H21N3OS — CID 107559283

IUPAC2-methyl-N-[[5-[(1-methylpyrazol-4-yl)oxymethyl]thiophen-2-yl]methyl]propan-2-amine
SMILESCn1cc(OCc2ccc(CNC(C)(C)C)s2)cn1
InChIInChI=1S/C14H21N3OS/c1-14(2,3)15-8-12-5-6-13(19-12)10-18-11-7-16-17(4)9-11/h5-7,9,15H,8,10H2,1-4H3
InChIKeyYQARIRMLURTBJZ-UHFFFAOYSA-N
MW279.41 g/mol
LogP2.95
Rot. Bonds5

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

2-methyl-N-[[5-[(1-methylpyrazol-4-yl)oxymethyl]thiophen-2-yl]methyl]propan-2-amine (PubChem CID 107559283) has the molecular formula C14H21N3OS and a molecular weight of 279.41 g/mol. Its IUPAC name is 2-methyl-N-[[5-[(1-methylpyrazol-4-yl)oxymethyl]thiophen-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[5-[(1-methylpyrazol-4-yl)oxymethyl]thiophen-2-yl]methyl]propan-2-amine
PubChem CID107559283
Molecular FormulaC14H21N3OS
Molecular Weight279.41 g/mol
Exact Mass279.14
IUPAC Name2-methyl-N-[[5-[(1-methylpyrazol-4-yl)oxymethyl]thiophen-2-yl]methyl]propan-2-amine
SMILESCn1cc(OCc2ccc(CNC(C)(C)C)s2)cn1
InChIInChI=1S/C14H21N3OS/c1-14(2,3)15-8-12-5-6-13(19-12)10-18-11-7-16-17(4)9-11/h5-7,9,15H,8,10H2,1-4H3
InChIKeyYQARIRMLURTBJZ-UHFFFAOYSA-N
XLogP2.95
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[5-[(1-methylpyrazol-4-yl)oxymethyl]thiophen-2-yl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[5-[(1-methylpyrazol-4-yl)oxymethyl]thiophen-2-yl]methyl]propan-2-amine (CID 107559283) is 2-methyl-N-[[5-[(1-methylpyrazol-4-yl)oxymethyl]thiophen-2-yl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[5-[(1-methylpyrazol-4-yl)oxymethyl]thiophen-2-yl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[5-[(1-methylpyrazol-4-yl)oxymethyl]thiophen-2-yl]methyl]propan-2-amine is Cn1cc(OCc2ccc(CNC(C)(C)C)s2)cn1.
What is the InChIKey of 2-methyl-N-[[5-[(1-methylpyrazol-4-yl)oxymethyl]thiophen-2-yl]methyl]propan-2-amine?
The InChIKey is YQARIRMLURTBJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3OS/c1-14(2,3)15-8-12-5-6-13(19-12)10-18-11-7-16-17(4)9-11/h5-7,9,15H,8,10H2,1-4H3.
What are the key properties of 2-methyl-N-[[5-[(1-methylpyrazol-4-yl)oxymethyl]thiophen-2-yl]methyl]propan-2-amine?
2-methyl-N-[[5-[(1-methylpyrazol-4-yl)oxymethyl]thiophen-2-yl]methyl]propan-2-amine has a molecular weight of 279.41 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[5-[(1-methylpyrazol-4-yl)oxymethyl]thiophen-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 107559283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).