N-[4-cyano-3-(trifluoromethyl)phenyl]-1-(4-fluoropyrazol-1-yl)cyclobutane-1-carboxamide

C16H12F4N4O — CID 146513794

IUPACN-[4-cyano-3-(trifluoromethyl)phenyl]-1-(4-fluoropyrazol-1-yl)cyclobutane-1-carboxamide
SMILESN#Cc1ccc(NC(=O)C2(n3cc(F)cn3)CCC2)cc1C(F)(F)F
InChIInChI=1S/C16H12F4N4O/c17-11-8-22-24(9-11)15(4-1-5-15)14(25)23-12-3-2-10(7-21)13(6-12)16(18,19)20/h2-3,6,8-9H,1,4-5H2,(H,23,25)
InChIKeyUDLSFSZCEISIOR-UHFFFAOYSA-N
MW352.29 g/mol
LogP3.43
Rot. Bonds3

About N-[4-cyano-3-(trifluoromethyl)phenyl]-1-(4-fluoropyrazol-1-yl)cyclobutane-1-carboxamide

N-[4-cyano-3-(trifluoromethyl)phenyl]-1-(4-fluoropyrazol-1-yl)cyclobutane-1-carboxamide (PubChem CID 146513794) has the molecular formula C16H12F4N4O and a molecular weight of 352.29 g/mol. Its IUPAC name is N-[4-cyano-3-(trifluoromethyl)phenyl]-1-(4-fluoropyrazol-1-yl)cyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-[4-cyano-3-(trifluoromethyl)phenyl]-1-(4-fluoropyrazol-1-yl)cyclobutane-1-carboxamide
PubChem CID146513794
Molecular FormulaC16H12F4N4O
Molecular Weight352.29 g/mol
Exact Mass352.09
IUPAC NameN-[4-cyano-3-(trifluoromethyl)phenyl]-1-(4-fluoropyrazol-1-yl)cyclobutane-1-carboxamide
SMILESN#Cc1ccc(NC(=O)C2(n3cc(F)cn3)CCC2)cc1C(F)(F)F
InChIInChI=1S/C16H12F4N4O/c17-11-8-22-24(9-11)15(4-1-5-15)14(25)23-12-3-2-10(7-21)13(6-12)16(18,19)20/h2-3,6,8-9H,1,4-5H2,(H,23,25)
InChIKeyUDLSFSZCEISIOR-UHFFFAOYSA-N
XLogP3.43
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.29
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(S)-N-(4-Cyano-3-(trifluoromethyl)phenyl)-3-(4-fluoro-1H-pyrazol-1-yl)-2-hydroxy-2-methylpropanamide
CID 132214622
N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-fluoropyrazol-1-yl)-2-methylpropanamide
CID 132214685
(2S)-3-(4-cyanopyrazol-1-yl)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methylpropanamide
CID 132227366
(2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methyl-3-[3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 132227428
(2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(3-fluoropyrazol-1-yl)-2-hydroxy-2-methylpropanamide
CID 132227431
(2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methyl-3-[4-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 132227432
(2R)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-fluoropyrazol-1-yl)-2-hydroxy-2-methylpropanamide
CID 132227433
(2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[4-(4-fluorophenyl)pyrazol-1-yl]-2-hydroxy-2-methylpropanamide
CID 132227702
(2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[3-fluoro-4-(4-fluorophenyl)pyrazol-1-yl]-2-hydroxy-2-methylpropanamide
CID 137405480
2-[1-[4-cyano-3-(trifluoromethyl)phenyl]pyrazol-3-yl]-N-(4-fluorophenyl)acetamide
CID 168272590
N-[[1-[4-cyano-3-(trifluoromethyl)phenyl]pyrazol-3-yl]methyl]-4-fluorobenzamide
CID 168274377
N-[[1-[4-cyano-3-(trifluoromethyl)phenyl]-4-methylpyrazol-3-yl]methyl]-4-fluorobenzamide
CID 168279145

Frequently Asked Questions

What is the IUPAC name of N-[4-cyano-3-(trifluoromethyl)phenyl]-1-(4-fluoropyrazol-1-yl)cyclobutane-1-carboxamide?
The IUPAC name of N-[4-cyano-3-(trifluoromethyl)phenyl]-1-(4-fluoropyrazol-1-yl)cyclobutane-1-carboxamide (CID 146513794) is N-[4-cyano-3-(trifluoromethyl)phenyl]-1-(4-fluoropyrazol-1-yl)cyclobutane-1-carboxamide.
What is the SMILES notation for N-[4-cyano-3-(trifluoromethyl)phenyl]-1-(4-fluoropyrazol-1-yl)cyclobutane-1-carboxamide?
The canonical SMILES for N-[4-cyano-3-(trifluoromethyl)phenyl]-1-(4-fluoropyrazol-1-yl)cyclobutane-1-carboxamide is N#Cc1ccc(NC(=O)C2(n3cc(F)cn3)CCC2)cc1C(F)(F)F.
What is the InChIKey of N-[4-cyano-3-(trifluoromethyl)phenyl]-1-(4-fluoropyrazol-1-yl)cyclobutane-1-carboxamide?
The InChIKey is UDLSFSZCEISIOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F4N4O/c17-11-8-22-24(9-11)15(4-1-5-15)14(25)23-12-3-2-10(7-21)13(6-12)16(18,19)20/h2-3,6,8-9H,1,4-5H2,(H,23,25).
What are the key properties of N-[4-cyano-3-(trifluoromethyl)phenyl]-1-(4-fluoropyrazol-1-yl)cyclobutane-1-carboxamide?
N-[4-cyano-3-(trifluoromethyl)phenyl]-1-(4-fluoropyrazol-1-yl)cyclobutane-1-carboxamide has a molecular weight of 352.29 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-cyano-3-(trifluoromethyl)phenyl]-1-(4-fluoropyrazol-1-yl)cyclobutane-1-carboxamide is sourced from PubChem (CID 146513794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).