N-[4-methyl-1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazol-5-yl]-2-[4-(trifluoromethyl)phenyl]acetamide

C23H22F3N3O — CID 52826506

IUPACN-[4-methyl-1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazol-5-yl]-2-[4-(trifluoromethyl)phenyl]acetamide
SMILESCc1cnn([C@@H]2CCCc3ccccc32)c1NC(=O)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C23H22F3N3O/c1-15-14-27-29(20-8-4-6-17-5-2-3-7-19(17)20)22(15)28-21(30)13-16-9-11-18(12-10-16)23(24,25)26/h2-3,5,7,9-12,14,20H,4,6,8,13H2,1H3,(H,28,30)/t20-/m1/s1
InChIKeyLHMFXCMMRRYNKX-HXUWFJFHSA-N
MW413.44 g/mol
LogP5.32
Rot. Bonds4

About N-[4-methyl-1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazol-5-yl]-2-[4-(trifluoromethyl)phenyl]acetamide

N-[4-methyl-1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazol-5-yl]-2-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 52826506) has the molecular formula C23H22F3N3O and a molecular weight of 413.44 g/mol. Its IUPAC name is N-[4-methyl-1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazol-5-yl]-2-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-methyl-1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazol-5-yl]-2-[4-(trifluoromethyl)phenyl]acetamide
PubChem CID52826506
Molecular FormulaC23H22F3N3O
Molecular Weight413.44 g/mol
Exact Mass413.17
IUPAC NameN-[4-methyl-1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazol-5-yl]-2-[4-(trifluoromethyl)phenyl]acetamide
SMILESCc1cnn([C@@H]2CCCc3ccccc32)c1NC(=O)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C23H22F3N3O/c1-15-14-27-29(20-8-4-6-17-5-2-3-7-19(17)20)22(15)28-21(30)13-16-9-11-18(12-10-16)23(24,25)26/h2-3,5,7,9-12,14,20H,4,6,8,13H2,1H3,(H,28,30)/t20-/m1/s1
InChIKeyLHMFXCMMRRYNKX-HXUWFJFHSA-N
XLogP5.32
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.44
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazol-5-yl]-2-[4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-[4-methyl-1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazol-5-yl]-2-[4-(trifluoromethyl)phenyl]acetamide (CID 52826506) is N-[4-methyl-1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazol-5-yl]-2-[4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-[4-methyl-1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazol-5-yl]-2-[4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-[4-methyl-1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazol-5-yl]-2-[4-(trifluoromethyl)phenyl]acetamide is Cc1cnn([C@@H]2CCCc3ccccc32)c1NC(=O)Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[4-methyl-1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazol-5-yl]-2-[4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is LHMFXCMMRRYNKX-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H22F3N3O/c1-15-14-27-29(20-8-4-6-17-5-2-3-7-19(17)20)22(15)28-21(30)13-16-9-11-18(12-10-16)23(24,25)26/h2-3,5,7,9-12,14,20H,4,6,8,13H2,1H3,(H,28,30)/t20-/m1/s1.
What are the key properties of N-[4-methyl-1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazol-5-yl]-2-[4-(trifluoromethyl)phenyl]acetamide?
N-[4-methyl-1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazol-5-yl]-2-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 413.44 g/mol, XLogP of 5.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazol-5-yl]-2-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 52826506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).