2-(4-bromophenoxy)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]acetamide

C16H14BrN3O2S — CID 35673635

IUPAC2-(4-bromophenoxy)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]acetamide
SMILESO=C(COc1ccc(Br)cc1)Nc1ccnn1Cc1cccs1
InChIInChI=1S/C16H14BrN3O2S/c17-12-3-5-13(6-4-12)22-11-16(21)19-15-7-8-18-20(15)10-14-2-1-9-23-14/h1-9H,10-11H2,(H,19,21)
InChIKeyMYVLOCOYAMMNKF-UHFFFAOYSA-N
MW392.28 g/mol
LogP3.77
Rot. Bonds6

About 2-(4-bromophenoxy)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]acetamide

2-(4-bromophenoxy)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]acetamide (PubChem CID 35673635) has the molecular formula C16H14BrN3O2S and a molecular weight of 392.28 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]acetamide.

Molecular Properties

Compound Name2-(4-bromophenoxy)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]acetamide
PubChem CID35673635
Molecular FormulaC16H14BrN3O2S
Molecular Weight392.28 g/mol
Exact Mass391.00
IUPAC Name2-(4-bromophenoxy)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]acetamide
SMILESO=C(COc1ccc(Br)cc1)Nc1ccnn1Cc1cccs1
InChIInChI=1S/C16H14BrN3O2S/c17-12-3-5-13(6-4-12)22-11-16(21)19-15-7-8-18-20(15)10-14-2-1-9-23-14/h1-9H,10-11H2,(H,19,21)
InChIKeyMYVLOCOYAMMNKF-UHFFFAOYSA-N
XLogP3.77
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.28
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-benzylpyrazol-3-yl)-2-(4-bromophenoxy)acetamide
CID 7589903
2-amino-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]acetamide
CID 121209392
N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-2-(4-cyanophenoxy)acetamide
CID 7504756
2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]acetamide
CID 8911528
4-propoxy-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]benzamide
CID 39834768
3-(4-methoxyphenyl)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]propanamide
CID 8911494
4-methoxy-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]benzamide
CID 8911601
3-bromo-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]benzamide
CID 8911637
N-(2-benzylpyrazol-3-yl)-2-(4-chlorophenoxy)acetamide
CID 2542749
2-(4-chlorophenyl)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]acetamide
CID 8911690
N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-2-(2-hydroxyphenoxy)acetamide
CID 78813776
N-[2-(furan-2-ylmethyl)pyrazol-3-yl]-2-(4-methoxyphenoxy)acetamide
CID 35767660

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]acetamide?
The IUPAC name of 2-(4-bromophenoxy)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]acetamide (CID 35673635) is 2-(4-bromophenoxy)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]acetamide.
What is the SMILES notation for 2-(4-bromophenoxy)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]acetamide?
The canonical SMILES for 2-(4-bromophenoxy)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]acetamide is O=C(COc1ccc(Br)cc1)Nc1ccnn1Cc1cccs1.
What is the InChIKey of 2-(4-bromophenoxy)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]acetamide?
The InChIKey is MYVLOCOYAMMNKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrN3O2S/c17-12-3-5-13(6-4-12)22-11-16(21)19-15-7-8-18-20(15)10-14-2-1-9-23-14/h1-9H,10-11H2,(H,19,21).
What are the key properties of 2-(4-bromophenoxy)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]acetamide?
2-(4-bromophenoxy)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]acetamide has a molecular weight of 392.28 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenoxy)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]acetamide is sourced from PubChem (CID 35673635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).