1-[5-[(1-ethylpyrazol-4-yl)oxymethyl]thiophen-2-yl]-N-methylmethanamine

C12H17N3OS — CID 107559286

IUPAC1-[5-[(1-ethylpyrazol-4-yl)oxymethyl]thiophen-2-yl]-N-methylmethanamine
SMILESCCn1cc(OCc2ccc(CNC)s2)cn1
InChIInChI=1S/C12H17N3OS/c1-3-15-8-10(6-14-15)16-9-12-5-4-11(17-12)7-13-2/h4-6,8,13H,3,7,9H2,1-2H3
InChIKeyJRYRQQZDLPHQNP-UHFFFAOYSA-N
MW251.35 g/mol
LogP2.26
Rot. Bonds6

About 1-[5-[(1-ethylpyrazol-4-yl)oxymethyl]thiophen-2-yl]-N-methylmethanamine

1-[5-[(1-ethylpyrazol-4-yl)oxymethyl]thiophen-2-yl]-N-methylmethanamine (PubChem CID 107559286) has the molecular formula C12H17N3OS and a molecular weight of 251.35 g/mol. Its IUPAC name is 1-[5-[(1-ethylpyrazol-4-yl)oxymethyl]thiophen-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-[(1-ethylpyrazol-4-yl)oxymethyl]thiophen-2-yl]-N-methylmethanamine
PubChem CID107559286
Molecular FormulaC12H17N3OS
Molecular Weight251.35 g/mol
Exact Mass251.11
IUPAC Name1-[5-[(1-ethylpyrazol-4-yl)oxymethyl]thiophen-2-yl]-N-methylmethanamine
SMILESCCn1cc(OCc2ccc(CNC)s2)cn1
InChIInChI=1S/C12H17N3OS/c1-3-15-8-10(6-14-15)16-9-12-5-4-11(17-12)7-13-2/h4-6,8,13H,3,7,9H2,1-2H3
InChIKeyJRYRQQZDLPHQNP-UHFFFAOYSA-N
XLogP2.26
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-fluoro-3-[(1-methylpyrazol-4-yl)oxymethyl]-1-benzothiophen-2-yl]-N-methylmethanamine
CID 116793662
[3-[(1-Ethylpyrazol-4-yl)oxymethyl]-4-fluoro-1-benzothiophen-2-yl]methanamine
CID 116803303
1-[(4-Fluorophenyl)methyl]-4-[(5-methylthiophen-3-yl)methoxy]pyrazole
CID 155961688
[3-(2-Pyrazol-1-ylethoxy)thiophen-2-yl]methanamine
CID 39202966
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

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(1-ethylpyrazol-4-yl)oxymethyl]thiophen-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[5-[(1-ethylpyrazol-4-yl)oxymethyl]thiophen-2-yl]-N-methylmethanamine (CID 107559286) is 1-[5-[(1-ethylpyrazol-4-yl)oxymethyl]thiophen-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-[(1-ethylpyrazol-4-yl)oxymethyl]thiophen-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[5-[(1-ethylpyrazol-4-yl)oxymethyl]thiophen-2-yl]-N-methylmethanamine is CCn1cc(OCc2ccc(CNC)s2)cn1.
What is the InChIKey of 1-[5-[(1-ethylpyrazol-4-yl)oxymethyl]thiophen-2-yl]-N-methylmethanamine?
The InChIKey is JRYRQQZDLPHQNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3OS/c1-3-15-8-10(6-14-15)16-9-12-5-4-11(17-12)7-13-2/h4-6,8,13H,3,7,9H2,1-2H3.
What are the key properties of 1-[5-[(1-ethylpyrazol-4-yl)oxymethyl]thiophen-2-yl]-N-methylmethanamine?
1-[5-[(1-ethylpyrazol-4-yl)oxymethyl]thiophen-2-yl]-N-methylmethanamine has a molecular weight of 251.35 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(1-ethylpyrazol-4-yl)oxymethyl]thiophen-2-yl]-N-methylmethanamine is sourced from PubChem (CID 107559286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).