(2R,3S,4S,5R)-N-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-3-[3,4-difluoro-2-[2-(1H-pyrazol-4-yl)ethyl]phenyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide

C24H24F7N5O2 — CID 166161154

IUPAC(2R,3S,4S,5R)-N-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-3-[3,4-difluoro-2-[2-(1H-pyrazol-4-yl)ethyl]phenyl]-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)c1CCc1cn[nH]c1
InChIInChI=1S/C24H24F7N5O2/c1-11-18(14-6-7-16(25)19(26)15(14)5-4-13-8-32-33-9-13)20(38-23(11,3)24(29,30)31)21(37)34-17-10-36(22(27)28)35-12(17)2/h6-11,18,20,22H,4-5H2,1-3H3,(H,32,33)(H,34,37)/t11-,18-,20+,23+/m0/s1
InChIKeyXWVQRYOLHQZCIT-AUSPJYSLSA-N
MW547.48 g/mol
LogP5.45
Rot. Bonds7

About (2R,3S,4S,5R)-N-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-3-[3,4-difluoro-2-[2-(1H-pyrazol-4-yl)ethyl]phenyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide

(2R,3S,4S,5R)-N-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-3-[3,4-difluoro-2-[2-(1H-pyrazol-4-yl)ethyl]phenyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide (PubChem CID 166161154) has the molecular formula C24H24F7N5O2 and a molecular weight of 547.48 g/mol. Its IUPAC name is (2R,3S,4S,5R)-N-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-3-[3,4-difluoro-2-[2-(1H-pyrazol-4-yl)ethyl]phenyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide.

Molecular Properties

Compound Name(2R,3S,4S,5R)-N-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-3-[3,4-difluoro-2-[2-(1H-pyrazol-4-yl)ethyl]phenyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide
PubChem CID166161154
Molecular FormulaC24H24F7N5O2
Molecular Weight547.48 g/mol
Exact Mass547.18
IUPAC Name(2R,3S,4S,5R)-N-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-3-[3,4-difluoro-2-[2-(1H-pyrazol-4-yl)ethyl]phenyl]-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)c1CCc1cn[nH]c1
InChIInChI=1S/C24H24F7N5O2/c1-11-18(14-6-7-16(25)19(26)15(14)5-4-13-8-32-33-9-13)20(38-23(11,3)24(29,30)31)21(37)34-17-10-36(22(27)28)35-12(17)2/h6-11,18,20,22H,4-5H2,1-3H3,(H,32,33)(H,34,37)/t11-,18-,20+,23+/m0/s1
InChIKeyXWVQRYOLHQZCIT-AUSPJYSLSA-N
XLogP5.45
TPSA84.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500547.48
LogP ≤ 55.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2R,3S,4S,5R)-N-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-3-[3,4-difluoro-2-[2-(1H-pyrazol-4-yl)ethyl]phenyl]-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-[3,4-difluoro-2-[2-(1H-pyrazol-4-yl)ethyl]phenyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide?
The IUPAC name of (2R,3S,4S,5R)-N-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-3-[3,4-difluoro-2-[2-(1H-pyrazol-4-yl)ethyl]phenyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide (CID 166161154) is (2R,3S,4S,5R)-N-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-3-[3,4-difluoro-2-[2-(1H-pyrazol-4-yl)ethyl]phenyl]-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-[3,4-difluoro-2-[2-(1H-pyrazol-4-yl)ethyl]phenyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide?
The canonical SMILES for (2R,3S,4S,5R)-N-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-3-[3,4-difluoro-2-[2-(1H-pyrazol-4-yl)ethyl]phenyl]-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)c1CCc1cn[nH]c1.
What is the InChIKey of (2R,3S,4S,5R)-N-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-3-[3,4-difluoro-2-[2-(1H-pyrazol-4-yl)ethyl]phenyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide?
The InChIKey is XWVQRYOLHQZCIT-AUSPJYSLSA-N. The full InChI is InChI=1S/C24H24F7N5O2/c1-11-18(14-6-7-16(25)19(26)15(14)5-4-13-8-32-33-9-13)20(38-23(11,3)24(29,30)31)21(37)34-17-10-36(22(27)28)35-12(17)2/h6-11,18,20,22H,4-5H2,1-3H3,(H,32,33)(H,34,37)/t11-,18-,20+,23+/m0/s1.
What are the key properties of (2R,3S,4S,5R)-N-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-3-[3,4-difluoro-2-[2-(1H-pyrazol-4-yl)ethyl]phenyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide?
(2R,3S,4S,5R)-N-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-3-[3,4-difluoro-2-[2-(1H-pyrazol-4-yl)ethyl]phenyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide has a molecular weight of 547.48 g/mol, XLogP of 5.45, 7 rotatable bonds, 2 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-[3,4-difluoro-2-[2-(1H-pyrazol-4-yl)ethyl]phenyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide is sourced from PubChem (CID 166161154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).