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

C14H21N3OS — CID 107559277

IUPAC2-methyl-N-[[5-[(1-methylpyrazol-4-yl)oxymethyl]thiophen-2-yl]methyl]propan-1-amine
SMILESCC(C)CNCc1ccc(COc2cnn(C)c2)s1
InChIInChI=1S/C14H21N3OS/c1-11(2)6-15-8-13-4-5-14(19-13)10-18-12-7-16-17(3)9-12/h4-5,7,9,11,15H,6,8,10H2,1-3H3
InChIKeyNPVHWAKNABDYNS-UHFFFAOYSA-N
MW279.41 g/mol
LogP2.81
Rot. Bonds7

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

2-methyl-N-[[5-[(1-methylpyrazol-4-yl)oxymethyl]thiophen-2-yl]methyl]propan-1-amine (PubChem CID 107559277) 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-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[5-[(1-methylpyrazol-4-yl)oxymethyl]thiophen-2-yl]methyl]propan-1-amine
PubChem CID107559277
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-1-amine
SMILESCC(C)CNCc1ccc(COc2cnn(C)c2)s1
InChIInChI=1S/C14H21N3OS/c1-11(2)6-15-8-13-4-5-14(19-13)10-18-12-7-16-17(3)9-12/h4-5,7,9,11,15H,6,8,10H2,1-3H3
InChIKeyNPVHWAKNABDYNS-UHFFFAOYSA-N
XLogP2.81
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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

Launch Full Analysis

Related Compounds

1-[(4-Fluorophenyl)methyl]-4-[(5-methylthiophen-3-yl)methoxy]pyrazole
CID 155961688
N-[(5-methylthiophen-2-yl)methyl]-2-(2-pyrazol-1-ylethoxy)aniline
CID 95851773
4-[(2,5-Dimethylthiophen-3-YL)methoxy]-1-methylpyrazole
CID 99839032
2-(1-ethylpyrazol-4-yl)oxy-N-[(5-methylthiophen-2-yl)methyl]acetamide
CID 100731350
2-methyl-N-[[5-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]thiophen-2-yl]methyl]propan-1-amine
CID 107559040
N-[[5-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]thiophen-2-yl]methyl]ethanamine
CID 107559041
N-methyl-1-[5-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]thiophen-2-yl]methanamine
CID 107559042
N-[[5-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]thiophen-2-yl]methyl]propan-1-amine
CID 107559043
N-[[5-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]thiophen-2-yl]methyl]cyclopropanamine
CID 107559044
N-[[5-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]thiophen-2-yl]methyl]propan-2-amine
CID 107559045
2-methyl-N-[[5-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]thiophen-2-yl]methyl]propan-2-amine
CID 107559046
N-[[5-[(1-methylpyrazol-4-yl)oxymethyl]thiophen-2-yl]methyl]ethanamine
CID 107559278

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[5-[(1-methylpyrazol-4-yl)oxymethyl]thiophen-2-yl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[5-[(1-methylpyrazol-4-yl)oxymethyl]thiophen-2-yl]methyl]propan-1-amine (CID 107559277) is 2-methyl-N-[[5-[(1-methylpyrazol-4-yl)oxymethyl]thiophen-2-yl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[5-[(1-methylpyrazol-4-yl)oxymethyl]thiophen-2-yl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[5-[(1-methylpyrazol-4-yl)oxymethyl]thiophen-2-yl]methyl]propan-1-amine is CC(C)CNCc1ccc(COc2cnn(C)c2)s1.
What is the InChIKey of 2-methyl-N-[[5-[(1-methylpyrazol-4-yl)oxymethyl]thiophen-2-yl]methyl]propan-1-amine?
The InChIKey is NPVHWAKNABDYNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3OS/c1-11(2)6-15-8-13-4-5-14(19-13)10-18-12-7-16-17(3)9-12/h4-5,7,9,11,15H,6,8,10H2,1-3H3.
What are the key properties of 2-methyl-N-[[5-[(1-methylpyrazol-4-yl)oxymethyl]thiophen-2-yl]methyl]propan-1-amine?
2-methyl-N-[[5-[(1-methylpyrazol-4-yl)oxymethyl]thiophen-2-yl]methyl]propan-1-amine has a molecular weight of 279.41 g/mol, XLogP of 2.81, 7 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-1-amine is sourced from PubChem (CID 107559277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).