N-(3-fluorophenyl)-2-[5-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]-3-(trifluoromethyl)pyrazol-1-yl]acetamide

C23H21F4N3O4 — CID 58883393

IUPACN-(3-fluorophenyl)-2-[5-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]-3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCOc1ccc(-c2cc(C(F)(F)F)nn2CC(=O)Nc2cccc(F)c2)cc1O[C@@H]1CCOC1
InChIInChI=1S/C23H21F4N3O4/c1-32-19-6-5-14(9-20(19)34-17-7-8-33-13-17)18-11-21(23(25,26)27)29-30(18)12-22(31)28-16-4-2-3-15(24)10-16/h2-6,9-11,17H,7-8,12-13H2,1H3,(H,28,31)/t17-/m1/s1
InChIKeyLWHWMWXWHCCWCT-QGZVFWFLSA-N
MW479.43 g/mol
LogP4.52
Rot. Bonds7

About N-(3-fluorophenyl)-2-[5-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]-3-(trifluoromethyl)pyrazol-1-yl]acetamide

N-(3-fluorophenyl)-2-[5-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]-3-(trifluoromethyl)pyrazol-1-yl]acetamide (PubChem CID 58883393) has the molecular formula C23H21F4N3O4 and a molecular weight of 479.43 g/mol. Its IUPAC name is N-(3-fluorophenyl)-2-[5-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]-3-(trifluoromethyl)pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-2-[5-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]-3-(trifluoromethyl)pyrazol-1-yl]acetamide
PubChem CID58883393
Molecular FormulaC23H21F4N3O4
Molecular Weight479.43 g/mol
Exact Mass479.15
IUPAC NameN-(3-fluorophenyl)-2-[5-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]-3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCOc1ccc(-c2cc(C(F)(F)F)nn2CC(=O)Nc2cccc(F)c2)cc1O[C@@H]1CCOC1
InChIInChI=1S/C23H21F4N3O4/c1-32-19-6-5-14(9-20(19)34-17-7-8-33-13-17)18-11-21(23(25,26)27)29-30(18)12-22(31)28-16-4-2-3-15(24)10-16/h2-6,9-11,17H,7-8,12-13H2,1H3,(H,28,31)/t17-/m1/s1
InChIKeyLWHWMWXWHCCWCT-QGZVFWFLSA-N
XLogP4.52
TPSA74.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.43
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-2-[5-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The IUPAC name of N-(3-fluorophenyl)-2-[5-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]-3-(trifluoromethyl)pyrazol-1-yl]acetamide (CID 58883393) is N-(3-fluorophenyl)-2-[5-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]-3-(trifluoromethyl)pyrazol-1-yl]acetamide.
What is the SMILES notation for N-(3-fluorophenyl)-2-[5-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The canonical SMILES for N-(3-fluorophenyl)-2-[5-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]-3-(trifluoromethyl)pyrazol-1-yl]acetamide is COc1ccc(-c2cc(C(F)(F)F)nn2CC(=O)Nc2cccc(F)c2)cc1O[C@@H]1CCOC1.
What is the InChIKey of N-(3-fluorophenyl)-2-[5-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The InChIKey is LWHWMWXWHCCWCT-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H21F4N3O4/c1-32-19-6-5-14(9-20(19)34-17-7-8-33-13-17)18-11-21(23(25,26)27)29-30(18)12-22(31)28-16-4-2-3-15(24)10-16/h2-6,9-11,17H,7-8,12-13H2,1H3,(H,28,31)/t17-/m1/s1.
What are the key properties of N-(3-fluorophenyl)-2-[5-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
N-(3-fluorophenyl)-2-[5-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]-3-(trifluoromethyl)pyrazol-1-yl]acetamide has a molecular weight of 479.43 g/mol, XLogP of 4.52, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-2-[5-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]-3-(trifluoromethyl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 58883393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).