2-(2-chlorophenoxy)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]propanamide

C17H16ClN3O2S — CID 51064434

IUPAC2-(2-chlorophenoxy)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]propanamide
SMILESCC(Oc1ccccc1Cl)C(=O)Nc1ccnn1Cc1cccs1
InChIInChI=1S/C17H16ClN3O2S/c1-12(23-15-7-3-2-6-14(15)18)17(22)20-16-8-9-19-21(16)11-13-5-4-10-24-13/h2-10,12H,11H2,1H3,(H,20,22)
InChIKeyYINJFOTWZDQJTG-UHFFFAOYSA-N
MW361.85 g/mol
LogP4.05
Rot. Bonds6

About 2-(2-chlorophenoxy)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]propanamide

2-(2-chlorophenoxy)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]propanamide (PubChem CID 51064434) has the molecular formula C17H16ClN3O2S and a molecular weight of 361.85 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]propanamide.

Molecular Properties

Compound Name2-(2-chlorophenoxy)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]propanamide
PubChem CID51064434
Molecular FormulaC17H16ClN3O2S
Molecular Weight361.85 g/mol
Exact Mass361.07
IUPAC Name2-(2-chlorophenoxy)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]propanamide
SMILESCC(Oc1ccccc1Cl)C(=O)Nc1ccnn1Cc1cccs1
InChIInChI=1S/C17H16ClN3O2S/c1-12(23-15-7-3-2-6-14(15)18)17(22)20-16-8-9-19-21(16)11-13-5-4-10-24-13/h2-10,12H,11H2,1H3,(H,20,22)
InChIKeyYINJFOTWZDQJTG-UHFFFAOYSA-N
XLogP4.05
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.85
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-(2-fluorophenoxy)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]propanamide
CID 35672413
(2R)-2-(4-chloro-3-methylphenoxy)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]propanamide
CID 35673332
(2S)-N-(2-benzylpyrazol-3-yl)-2-phenoxypropanamide
CID 30804831
(2S)-N-(2-benzylpyrazol-3-yl)-2-(4-chloro-3-methylphenoxy)propanamide
CID 35576672
(2R)-2-(4-acetylphenoxy)-N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]propanamide
CID 31976291
2-methyl-N-[(2R)-3-methyl-1-oxo-1-[[2-(thiophen-2-ylmethyl)pyrazol-3-yl]amino]butan-2-yl]benzamide
CID 9362332
2-(4-chlorophenyl)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]acetamide
CID 8911690
2-amino-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]acetamide
CID 121209392
N-(2-benzylpyrazol-3-yl)-2-(3,5-dimethylphenoxy)propanamide
CID 45155186
3-methoxy-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]naphthalene-2-carboxamide
CID 17401208
4-methyl-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]benzamide
CID 8911642
N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]cyclobutanecarboxamide
CID 8911676

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenoxy)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]propanamide?
The IUPAC name of 2-(2-chlorophenoxy)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]propanamide (CID 51064434) is 2-(2-chlorophenoxy)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]propanamide.
What is the SMILES notation for 2-(2-chlorophenoxy)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]propanamide?
The canonical SMILES for 2-(2-chlorophenoxy)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]propanamide is CC(Oc1ccccc1Cl)C(=O)Nc1ccnn1Cc1cccs1.
What is the InChIKey of 2-(2-chlorophenoxy)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]propanamide?
The InChIKey is YINJFOTWZDQJTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O2S/c1-12(23-15-7-3-2-6-14(15)18)17(22)20-16-8-9-19-21(16)11-13-5-4-10-24-13/h2-10,12H,11H2,1H3,(H,20,22).
What are the key properties of 2-(2-chlorophenoxy)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]propanamide?
2-(2-chlorophenoxy)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]propanamide has a molecular weight of 361.85 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenoxy)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]propanamide is sourced from PubChem (CID 51064434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).