2-[3-[4-(difluoromethoxy)-3-[(3R)-oxolan-3-yl]oxyphenyl]pyrazol-1-yl]-N-(2,3-difluorophenyl)acetamide

C22H19F4N3O4 — CID 59305054

IUPAC2-[3-[4-(difluoromethoxy)-3-[(3R)-oxolan-3-yl]oxyphenyl]pyrazol-1-yl]-N-(2,3-difluorophenyl)acetamide
SMILESO=C(Cn1ccc(-c2ccc(OC(F)F)c(O[C@@H]3CCOC3)c2)n1)Nc1cccc(F)c1F
InChIInChI=1S/C22H19F4N3O4/c23-15-2-1-3-17(21(15)24)27-20(30)11-29-8-6-16(28-29)13-4-5-18(33-22(25)26)19(10-13)32-14-7-9-31-12-14/h1-6,8,10,14,22H,7,9,11-12H2,(H,27,30)/t14-/m1/s1
InChIKeyQSDGDSOACAYTLC-CQSZACIVSA-N
MW465.40 g/mol
LogP4.24
Rot. Bonds8

About 2-[3-[4-(difluoromethoxy)-3-[(3R)-oxolan-3-yl]oxyphenyl]pyrazol-1-yl]-N-(2,3-difluorophenyl)acetamide

2-[3-[4-(difluoromethoxy)-3-[(3R)-oxolan-3-yl]oxyphenyl]pyrazol-1-yl]-N-(2,3-difluorophenyl)acetamide (PubChem CID 59305054) has the molecular formula C22H19F4N3O4 and a molecular weight of 465.40 g/mol. Its IUPAC name is 2-[3-[4-(difluoromethoxy)-3-[(3R)-oxolan-3-yl]oxyphenyl]pyrazol-1-yl]-N-(2,3-difluorophenyl)acetamide.

Molecular Properties

Compound Name2-[3-[4-(difluoromethoxy)-3-[(3R)-oxolan-3-yl]oxyphenyl]pyrazol-1-yl]-N-(2,3-difluorophenyl)acetamide
PubChem CID59305054
Molecular FormulaC22H19F4N3O4
Molecular Weight465.40 g/mol
Exact Mass465.13
IUPAC Name2-[3-[4-(difluoromethoxy)-3-[(3R)-oxolan-3-yl]oxyphenyl]pyrazol-1-yl]-N-(2,3-difluorophenyl)acetamide
SMILESO=C(Cn1ccc(-c2ccc(OC(F)F)c(O[C@@H]3CCOC3)c2)n1)Nc1cccc(F)c1F
InChIInChI=1S/C22H19F4N3O4/c23-15-2-1-3-17(21(15)24)27-20(30)11-29-8-6-16(28-29)13-4-5-18(33-22(25)26)19(10-13)32-14-7-9-31-12-14/h1-6,8,10,14,22H,7,9,11-12H2,(H,27,30)/t14-/m1/s1
InChIKeyQSDGDSOACAYTLC-CQSZACIVSA-N
XLogP4.24
TPSA74.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.40
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-[4-(difluoromethoxy)-3-[(3R)-oxolan-3-yl]oxyphenyl]pyrazol-1-yl]acetic acid
CID 58883402
2-[3-[4-(difluoromethoxy)-3-[(2S)-oxolan-2-yl]oxyphenyl]pyrazol-1-yl]acetic acid
CID 11279659
N-(2,3-difluorophenyl)-2-[(4S)-4-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]-2-oxopyrrolidin-1-yl]acetamide
CID 68682136
2-[4-[3-cyclopentyloxy-4-(difluoromethoxy)phenyl]-2-oxopyrrolidin-1-yl]-N-(2,3-difluorophenyl)acetamide
CID 10227645
2-[3-[4-(difluoromethoxy)-3-[(4-methoxyphenyl)methoxy]phenyl]pyrazol-1-yl]-1-morpholin-4-ylethanone
CID 167212258
N-[2-(difluoromethoxy)phenyl]-2-pyrazol-1-ylacetamide
CID 39723759
N-[2-(difluoromethoxy)-4-fluorophenyl]-2-(3-methylpyrazol-1-yl)acetamide
CID 19517063
N-[2-(difluoromethoxy)-5-methylphenyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 19530895
2-[(4R)-4-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]-2-oxopyrrolidin-1-yl]-N-(2-methylphenyl)acetamide
CID 10137168
2-[(4S)-4-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]-2-oxopyrrolidin-1-yl]-N-(2-methylphenyl)acetamide
CID 68685351
1-[4-(difluoromethoxy)-3-(oxolan-3-yloxy)phenyl]-2,2-dimethylpropan-1-ol
CID 25178116
N-[2-(difluoromethoxy)phenyl]-2-[(3S,4S)-3-(3-fluorophenoxy)-4-hydroxy-4-methylpiperidin-1-yl]acetamide
CID 110162405

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-(difluoromethoxy)-3-[(3R)-oxolan-3-yl]oxyphenyl]pyrazol-1-yl]-N-(2,3-difluorophenyl)acetamide?
The IUPAC name of 2-[3-[4-(difluoromethoxy)-3-[(3R)-oxolan-3-yl]oxyphenyl]pyrazol-1-yl]-N-(2,3-difluorophenyl)acetamide (CID 59305054) is 2-[3-[4-(difluoromethoxy)-3-[(3R)-oxolan-3-yl]oxyphenyl]pyrazol-1-yl]-N-(2,3-difluorophenyl)acetamide.
What is the SMILES notation for 2-[3-[4-(difluoromethoxy)-3-[(3R)-oxolan-3-yl]oxyphenyl]pyrazol-1-yl]-N-(2,3-difluorophenyl)acetamide?
The canonical SMILES for 2-[3-[4-(difluoromethoxy)-3-[(3R)-oxolan-3-yl]oxyphenyl]pyrazol-1-yl]-N-(2,3-difluorophenyl)acetamide is O=C(Cn1ccc(-c2ccc(OC(F)F)c(O[C@@H]3CCOC3)c2)n1)Nc1cccc(F)c1F.
What is the InChIKey of 2-[3-[4-(difluoromethoxy)-3-[(3R)-oxolan-3-yl]oxyphenyl]pyrazol-1-yl]-N-(2,3-difluorophenyl)acetamide?
The InChIKey is QSDGDSOACAYTLC-CQSZACIVSA-N. The full InChI is InChI=1S/C22H19F4N3O4/c23-15-2-1-3-17(21(15)24)27-20(30)11-29-8-6-16(28-29)13-4-5-18(33-22(25)26)19(10-13)32-14-7-9-31-12-14/h1-6,8,10,14,22H,7,9,11-12H2,(H,27,30)/t14-/m1/s1.
What are the key properties of 2-[3-[4-(difluoromethoxy)-3-[(3R)-oxolan-3-yl]oxyphenyl]pyrazol-1-yl]-N-(2,3-difluorophenyl)acetamide?
2-[3-[4-(difluoromethoxy)-3-[(3R)-oxolan-3-yl]oxyphenyl]pyrazol-1-yl]-N-(2,3-difluorophenyl)acetamide has a molecular weight of 465.40 g/mol, XLogP of 4.24, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-(difluoromethoxy)-3-[(3R)-oxolan-3-yl]oxyphenyl]pyrazol-1-yl]-N-(2,3-difluorophenyl)acetamide is sourced from PubChem (CID 59305054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).