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

C17H16FN3O2S — CID 35672413

IUPAC(2R)-2-(2-fluorophenoxy)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]propanamide
SMILESC[C@@H](Oc1ccccc1F)C(=O)Nc1ccnn1Cc1cccs1
InChIInChI=1S/C17H16FN3O2S/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)/t12-/m1/s1
InChIKeyKIBORQCFZKMSPZ-GFCCVEGCSA-N
MW345.40 g/mol
LogP3.54
Rot. Bonds6

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

(2R)-2-(2-fluorophenoxy)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]propanamide (PubChem CID 35672413) has the molecular formula C17H16FN3O2S and a molecular weight of 345.40 g/mol. Its IUPAC name is (2R)-2-(2-fluorophenoxy)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]propanamide.

Molecular Properties

Compound Name(2R)-2-(2-fluorophenoxy)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]propanamide
PubChem CID35672413
Molecular FormulaC17H16FN3O2S
Molecular Weight345.40 g/mol
Exact Mass345.09
IUPAC Name(2R)-2-(2-fluorophenoxy)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]propanamide
SMILESC[C@@H](Oc1ccccc1F)C(=O)Nc1ccnn1Cc1cccs1
InChIInChI=1S/C17H16FN3O2S/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)/t12-/m1/s1
InChIKeyKIBORQCFZKMSPZ-GFCCVEGCSA-N
XLogP3.54
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-chlorophenoxy)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]propanamide
CID 51064434
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CID 35673332
(2S)-N-(2-benzylpyrazol-3-yl)-2-phenoxypropanamide
CID 30804831
N-[2-[(2-bromophenyl)methyl]pyrazol-3-yl]-2-(4-fluorophenoxy)propanamide
CID 18102461
2-methyl-N-[(2R)-3-methyl-1-oxo-1-[[2-(thiophen-2-ylmethyl)pyrazol-3-yl]amino]butan-2-yl]benzamide
CID 9362332
2-[1-(4-fluorophenyl)ethyl-methylamino]-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]acetamide
CID 51287494
(2R)-N-[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2-(4-fluorophenoxy)propanamide
CID 26725935
2-amino-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]acetamide
CID 121209392
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
4-methoxy-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]benzamide
CID 8911601
2-(4-fluorophenoxy)-N-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]propanamide
CID 51064444

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-fluorophenoxy)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]propanamide?
The IUPAC name of (2R)-2-(2-fluorophenoxy)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]propanamide (CID 35672413) is (2R)-2-(2-fluorophenoxy)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]propanamide.
What is the SMILES notation for (2R)-2-(2-fluorophenoxy)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]propanamide?
The canonical SMILES for (2R)-2-(2-fluorophenoxy)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]propanamide is C[C@@H](Oc1ccccc1F)C(=O)Nc1ccnn1Cc1cccs1.
What is the InChIKey of (2R)-2-(2-fluorophenoxy)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]propanamide?
The InChIKey is KIBORQCFZKMSPZ-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H16FN3O2S/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)/t12-/m1/s1.
What are the key properties of (2R)-2-(2-fluorophenoxy)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]propanamide?
(2R)-2-(2-fluorophenoxy)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]propanamide has a molecular weight of 345.40 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-fluorophenoxy)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]propanamide is sourced from PubChem (CID 35672413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).