2-[(2-chlorophenyl)methoxy]-N-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]acetamide

C17H20ClN3O3 — CID 51098791

IUPAC2-[(2-chlorophenyl)methoxy]-N-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]acetamide
SMILESO=C(COCc1ccccc1Cl)Nc1ccnn1CC1CCOC1
InChIInChI=1S/C17H20ClN3O3/c18-15-4-2-1-3-14(15)11-24-12-17(22)20-16-5-7-19-21(16)9-13-6-8-23-10-13/h1-5,7,13H,6,8-12H2,(H,20,22)
InChIKeyQGPIQBIEQRBDDC-UHFFFAOYSA-N
MW349.82 g/mol
LogP2.73
Rot. Bonds7

About 2-[(2-chlorophenyl)methoxy]-N-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]acetamide

2-[(2-chlorophenyl)methoxy]-N-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]acetamide (PubChem CID 51098791) has the molecular formula C17H20ClN3O3 and a molecular weight of 349.82 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methoxy]-N-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]acetamide.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methoxy]-N-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]acetamide
PubChem CID51098791
Molecular FormulaC17H20ClN3O3
Molecular Weight349.82 g/mol
Exact Mass349.12
IUPAC Name2-[(2-chlorophenyl)methoxy]-N-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]acetamide
SMILESO=C(COCc1ccccc1Cl)Nc1ccnn1CC1CCOC1
InChIInChI=1S/C17H20ClN3O3/c18-15-4-2-1-3-14(15)11-24-12-17(22)20-16-5-7-19-21(16)9-13-6-8-23-10-13/h1-5,7,13H,6,8-12H2,(H,20,22)
InChIKeyQGPIQBIEQRBDDC-UHFFFAOYSA-N
XLogP2.73
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.82
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[[(3S)-oxolan-3-yl]methyl]pyrazol-3-yl]-1,3-dihydroisoindole-2-carboxamide
CID 99713688
1-(2,3-dihydro-1H-inden-2-yl)-3-[2-[[(3S)-oxolan-3-yl]methyl]pyrazol-3-yl]urea
CID 99709604
2-[(2-chlorophenyl)methoxy]-N-(oxolan-3-ylmethyl)ethanamine
CID 62564827
2-nitro-N-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]benzamide
CID 75405962
3-(2,4-dimethylphenyl)-N-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]propanamide
CID 51098799
(E)-3-(3,4-dichlorophenyl)-N-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]prop-2-enamide
CID 75364473
2-(2-bromophenoxy)-N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]acetamide
CID 52542142
3,5-difluoro-N-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]benzamide
CID 86867525
N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-(2-methoxyphenoxy)acetamide
CID 18193327
4-(1,3-dithiolan-2-yl)-N-[2-[[(3R)-oxolan-3-yl]methyl]pyrazol-3-yl]benzamide
CID 97077993
N-[2-[[(3S)-oxolan-3-yl]methyl]pyrazol-3-yl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
CID 52519670
2,5-difluoro-N-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]benzamide
CID 86867514

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methoxy]-N-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]acetamide?
The IUPAC name of 2-[(2-chlorophenyl)methoxy]-N-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]acetamide (CID 51098791) is 2-[(2-chlorophenyl)methoxy]-N-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]acetamide.
What is the SMILES notation for 2-[(2-chlorophenyl)methoxy]-N-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]acetamide?
The canonical SMILES for 2-[(2-chlorophenyl)methoxy]-N-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]acetamide is O=C(COCc1ccccc1Cl)Nc1ccnn1CC1CCOC1.
What is the InChIKey of 2-[(2-chlorophenyl)methoxy]-N-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]acetamide?
The InChIKey is QGPIQBIEQRBDDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O3/c18-15-4-2-1-3-14(15)11-24-12-17(22)20-16-5-7-19-21(16)9-13-6-8-23-10-13/h1-5,7,13H,6,8-12H2,(H,20,22).
What are the key properties of 2-[(2-chlorophenyl)methoxy]-N-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]acetamide?
2-[(2-chlorophenyl)methoxy]-N-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]acetamide has a molecular weight of 349.82 g/mol, XLogP of 2.73, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methoxy]-N-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]acetamide is sourced from PubChem (CID 51098791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).