N,N-dimethyl-2-[3-(9-oxofluoren-2-yl)-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]acetamide

C27H20F3N3O2 — CID 10917744

IUPACN,N-dimethyl-2-[3-(9-oxofluoren-2-yl)-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]acetamide
SMILESCN(C)C(=O)Cc1cn(-c2cccc(C(F)(F)F)c2)nc1-c1ccc2c(c1)C(=O)c1ccccc1-2
InChIInChI=1S/C27H20F3N3O2/c1-32(2)24(34)13-17-15-33(19-7-5-6-18(14-19)27(28,29)30)31-25(17)16-10-11-21-20-8-3-4-9-22(20)26(35)23(21)12-16/h3-12,14-15H,13H2,1-2H3
InChIKeyOLQLHMWQLXVQSK-UHFFFAOYSA-N
MW475.47 g/mol
LogP5.40
Rot. Bonds4

About N,N-dimethyl-2-[3-(9-oxofluoren-2-yl)-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]acetamide

N,N-dimethyl-2-[3-(9-oxofluoren-2-yl)-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]acetamide (PubChem CID 10917744) has the molecular formula C27H20F3N3O2 and a molecular weight of 475.47 g/mol. Its IUPAC name is N,N-dimethyl-2-[3-(9-oxofluoren-2-yl)-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[3-(9-oxofluoren-2-yl)-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]acetamide
PubChem CID10917744
Molecular FormulaC27H20F3N3O2
Molecular Weight475.47 g/mol
Exact Mass475.15
IUPAC NameN,N-dimethyl-2-[3-(9-oxofluoren-2-yl)-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]acetamide
SMILESCN(C)C(=O)Cc1cn(-c2cccc(C(F)(F)F)c2)nc1-c1ccc2c(c1)C(=O)c1ccccc1-2
InChIInChI=1S/C27H20F3N3O2/c1-32(2)24(34)13-17-15-33(19-7-5-6-18(14-19)27(28,29)30)31-25(17)16-10-11-21-20-8-3-4-9-22(20)26(35)23(21)12-16/h3-12,14-15H,13H2,1-2H3
InChIKeyOLQLHMWQLXVQSK-UHFFFAOYSA-N
XLogP5.40
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.47
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[3-(9-oxofluoren-2-yl)-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]acetamide?
The IUPAC name of N,N-dimethyl-2-[3-(9-oxofluoren-2-yl)-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]acetamide (CID 10917744) is N,N-dimethyl-2-[3-(9-oxofluoren-2-yl)-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[3-(9-oxofluoren-2-yl)-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]acetamide?
The canonical SMILES for N,N-dimethyl-2-[3-(9-oxofluoren-2-yl)-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]acetamide is CN(C)C(=O)Cc1cn(-c2cccc(C(F)(F)F)c2)nc1-c1ccc2c(c1)C(=O)c1ccccc1-2.
What is the InChIKey of N,N-dimethyl-2-[3-(9-oxofluoren-2-yl)-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]acetamide?
The InChIKey is OLQLHMWQLXVQSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20F3N3O2/c1-32(2)24(34)13-17-15-33(19-7-5-6-18(14-19)27(28,29)30)31-25(17)16-10-11-21-20-8-3-4-9-22(20)26(35)23(21)12-16/h3-12,14-15H,13H2,1-2H3.
What are the key properties of N,N-dimethyl-2-[3-(9-oxofluoren-2-yl)-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]acetamide?
N,N-dimethyl-2-[3-(9-oxofluoren-2-yl)-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]acetamide has a molecular weight of 475.47 g/mol, XLogP of 5.40, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[3-(9-oxofluoren-2-yl)-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]acetamide is sourced from PubChem (CID 10917744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).