(2R,3S,4S,5R)-N-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-3-[2-[2-(dimethylamino)ethyl]-3,4-difluorophenyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide

C23H27F7N4O2 — CID 166160703

IUPAC(2R,3S,4S,5R)-N-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-3-[2-[2-(dimethylamino)ethyl]-3,4-difluorophenyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide
SMILESCc1nn(C(F)F)cc1NC(=O)[C@@H]1O[C@@](C)(C(F)(F)F)[C@@H](C)[C@H]1c1ccc(F)c(F)c1CCN(C)C
InChIInChI=1S/C23H27F7N4O2/c1-11-17(13-6-7-15(24)18(25)14(13)8-9-33(4)5)19(36-22(11,3)23(28,29)30)20(35)31-16-10-34(21(26)27)32-12(16)2/h6-7,10-11,17,19,21H,8-9H2,1-5H3,(H,31,35)/t11-,17-,19+,22+/m0/s1
InChIKeyHUMNOUVXDDWBTQ-LTINJSDGSA-N
MW524.48 g/mol
LogP5.05
Rot. Bonds7

About (2R,3S,4S,5R)-N-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-3-[2-[2-(dimethylamino)ethyl]-3,4-difluorophenyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide

(2R,3S,4S,5R)-N-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-3-[2-[2-(dimethylamino)ethyl]-3,4-difluorophenyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide (PubChem CID 166160703) has the molecular formula C23H27F7N4O2 and a molecular weight of 524.48 g/mol. Its IUPAC name is (2R,3S,4S,5R)-N-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-3-[2-[2-(dimethylamino)ethyl]-3,4-difluorophenyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide.

Molecular Properties

Compound Name(2R,3S,4S,5R)-N-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-3-[2-[2-(dimethylamino)ethyl]-3,4-difluorophenyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide
PubChem CID166160703
Molecular FormulaC23H27F7N4O2
Molecular Weight524.48 g/mol
Exact Mass524.20
IUPAC Name(2R,3S,4S,5R)-N-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-3-[2-[2-(dimethylamino)ethyl]-3,4-difluorophenyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide
SMILESCc1nn(C(F)F)cc1NC(=O)[C@@H]1O[C@@](C)(C(F)(F)F)[C@@H](C)[C@H]1c1ccc(F)c(F)c1CCN(C)C
InChIInChI=1S/C23H27F7N4O2/c1-11-17(13-6-7-15(24)18(25)14(13)8-9-33(4)5)19(36-22(11,3)23(28,29)30)20(35)31-16-10-34(21(26)27)32-12(16)2/h6-7,10-11,17,19,21H,8-9H2,1-5H3,(H,31,35)/t11-,17-,19+,22+/m0/s1
InChIKeyHUMNOUVXDDWBTQ-LTINJSDGSA-N
XLogP5.05
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.48
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R,3S,4S,5R)-N-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-3-[2-[2-(dimethylamino)ethyl]-3,4-difluorophenyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,5R)-N-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-3-[2-[2-(dimethylamino)ethyl]-3,4-difluorophenyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide?
The IUPAC name of (2R,3S,4S,5R)-N-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-3-[2-[2-(dimethylamino)ethyl]-3,4-difluorophenyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide (CID 166160703) is (2R,3S,4S,5R)-N-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-3-[2-[2-(dimethylamino)ethyl]-3,4-difluorophenyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide.
What is the SMILES notation for (2R,3S,4S,5R)-N-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-3-[2-[2-(dimethylamino)ethyl]-3,4-difluorophenyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide?
The canonical SMILES for (2R,3S,4S,5R)-N-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-3-[2-[2-(dimethylamino)ethyl]-3,4-difluorophenyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide is Cc1nn(C(F)F)cc1NC(=O)[C@@H]1O[C@@](C)(C(F)(F)F)[C@@H](C)[C@H]1c1ccc(F)c(F)c1CCN(C)C.
What is the InChIKey of (2R,3S,4S,5R)-N-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-3-[2-[2-(dimethylamino)ethyl]-3,4-difluorophenyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide?
The InChIKey is HUMNOUVXDDWBTQ-LTINJSDGSA-N. The full InChI is InChI=1S/C23H27F7N4O2/c1-11-17(13-6-7-15(24)18(25)14(13)8-9-33(4)5)19(36-22(11,3)23(28,29)30)20(35)31-16-10-34(21(26)27)32-12(16)2/h6-7,10-11,17,19,21H,8-9H2,1-5H3,(H,31,35)/t11-,17-,19+,22+/m0/s1.
What are the key properties of (2R,3S,4S,5R)-N-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-3-[2-[2-(dimethylamino)ethyl]-3,4-difluorophenyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide?
(2R,3S,4S,5R)-N-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-3-[2-[2-(dimethylamino)ethyl]-3,4-difluorophenyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide has a molecular weight of 524.48 g/mol, XLogP of 5.05, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S,5R)-N-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-3-[2-[2-(dimethylamino)ethyl]-3,4-difluorophenyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide is sourced from PubChem (CID 166160703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).