2-(4-chlorophenoxy)-2-methyl-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]propanamide

C17H20ClN3O3 — CID 97428052

IUPAC2-(4-chlorophenoxy)-2-methyl-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]propanamide
SMILESCC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1cnn([C@H]2CCOC2)c1
InChIInChI=1S/C17H20ClN3O3/c1-17(2,24-15-5-3-12(18)4-6-15)16(22)20-13-9-19-21(10-13)14-7-8-23-11-14/h3-6,9-10,14H,7-8,11H2,1-2H3,(H,20,22)/t14-/m0/s1
InChIKeyITFWCWGLZOZOEY-AWEZNQCLSA-N
MW349.82 g/mol
LogP3.29
Rot. Bonds5

About 2-(4-chlorophenoxy)-2-methyl-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]propanamide

2-(4-chlorophenoxy)-2-methyl-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]propanamide (PubChem CID 97428052) has the molecular formula C17H20ClN3O3 and a molecular weight of 349.82 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-2-methyl-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]propanamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-2-methyl-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]propanamide
PubChem CID97428052
Molecular FormulaC17H20ClN3O3
Molecular Weight349.82 g/mol
Exact Mass349.12
IUPAC Name2-(4-chlorophenoxy)-2-methyl-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]propanamide
SMILESCC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1cnn([C@H]2CCOC2)c1
InChIInChI=1S/C17H20ClN3O3/c1-17(2,24-15-5-3-12(18)4-6-15)16(22)20-13-9-19-21(10-13)14-7-8-23-11-14/h3-6,9-10,14H,7-8,11H2,1-2H3,(H,20,22)/t14-/m0/s1
InChIKeyITFWCWGLZOZOEY-AWEZNQCLSA-N
XLogP3.29
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.82
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-chlorophenoxy)-N-[1-(propan-2-yl)-1H-pyrazol-4-yl]acetamide
CID 5299738
N-(1-benzyl-1H-pyrazol-4-yl)-2-(2-chlorophenoxy)acetamide
CID 832073
2-(4-chlorophenoxy)-N-[1-(2,6-dichlorobenzyl)-1H-pyrazol-4-yl]acetamide
CID 1017922
4-(4-{[(3-chlorophenoxy)acetyl]amino}-1H-pyrazol-1-yl)butanoic acid
CID 1507062
4-[4-[[2-(4-Chloro-3-methylphenoxy)acetyl]amino]pyrazol-1-yl]butanoic acid
CID 1509163
2-(4-chlorophenoxy)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 4825974
2-(4-chlorophenoxy)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methylpropanamide
CID 25163660
4-[4-[2-(4-Chloro-2-methylphenoxy)propanoylamino]pyrazol-1-yl]butanoic acid
CID 5303244
2-(2,4-dichlorophenoxy)-N-(1-methylpyrazol-4-yl)acetamide
CID 31921202
N-[1-[(2-chloro-4-fluorophenoxy)methyl]pyrazol-4-yl]-2-methoxyacetamide
CID 35592974
2-(4-chlorophenoxy)-N-(1H-pyrazol-4-yl)acetamide
CID 37800156
3-(4-chlorophenoxy)-N-(3-pyrazol-1-ylpropyl)propanamide
CID 47035676

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-2-methyl-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]propanamide?
The IUPAC name of 2-(4-chlorophenoxy)-2-methyl-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]propanamide (CID 97428052) is 2-(4-chlorophenoxy)-2-methyl-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]propanamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-2-methyl-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]propanamide?
The canonical SMILES for 2-(4-chlorophenoxy)-2-methyl-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]propanamide is CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1cnn([C@H]2CCOC2)c1.
What is the InChIKey of 2-(4-chlorophenoxy)-2-methyl-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]propanamide?
The InChIKey is ITFWCWGLZOZOEY-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H20ClN3O3/c1-17(2,24-15-5-3-12(18)4-6-15)16(22)20-13-9-19-21(10-13)14-7-8-23-11-14/h3-6,9-10,14H,7-8,11H2,1-2H3,(H,20,22)/t14-/m0/s1.
What are the key properties of 2-(4-chlorophenoxy)-2-methyl-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]propanamide?
2-(4-chlorophenoxy)-2-methyl-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]propanamide has a molecular weight of 349.82 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-2-methyl-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]propanamide is sourced from PubChem (CID 97428052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).