N-[4-fluoro-3-(trifluoromethyl)phenyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)azetidine-3-carboxamide

C18H14F4N6O — CID 121168682

IUPACN-[4-fluoro-3-(trifluoromethyl)phenyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)azetidine-3-carboxamide
SMILESO=C(Nc1ccc(F)c(C(F)(F)F)c1)C1CN(c2cc(-n3cccn3)ncn2)C1
InChIInChI=1S/C18H14F4N6O/c19-14-3-2-12(6-13(14)18(20,21)22)26-17(29)11-8-27(9-11)15-7-16(24-10-23-15)28-5-1-4-25-28/h1-7,10-11H,8-9H2,(H,26,29)
InChIKeyDXBQZGJFCSZSFX-UHFFFAOYSA-N
MW406.34 g/mol
LogP2.90
Rot. Bonds4

About N-[4-fluoro-3-(trifluoromethyl)phenyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)azetidine-3-carboxamide

N-[4-fluoro-3-(trifluoromethyl)phenyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)azetidine-3-carboxamide (PubChem CID 121168682) has the molecular formula C18H14F4N6O and a molecular weight of 406.34 g/mol. Its IUPAC name is N-[4-fluoro-3-(trifluoromethyl)phenyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)azetidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-fluoro-3-(trifluoromethyl)phenyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)azetidine-3-carboxamide
PubChem CID121168682
Molecular FormulaC18H14F4N6O
Molecular Weight406.34 g/mol
Exact Mass406.12
IUPAC NameN-[4-fluoro-3-(trifluoromethyl)phenyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)azetidine-3-carboxamide
SMILESO=C(Nc1ccc(F)c(C(F)(F)F)c1)C1CN(c2cc(-n3cccn3)ncn2)C1
InChIInChI=1S/C18H14F4N6O/c19-14-3-2-12(6-13(14)18(20,21)22)26-17(29)11-8-27(9-11)15-7-16(24-10-23-15)28-5-1-4-25-28/h1-7,10-11H,8-9H2,(H,26,29)
InChIKeyDXBQZGJFCSZSFX-UHFFFAOYSA-N
XLogP2.90
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.34
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[4-fluoro-3-(trifluoromethyl)phenyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)azetidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-fluoro-3-(trifluoromethyl)phenyl]-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 71810832
N-(3,5-dimethoxyphenyl)-1-(6-pyrazol-1-ylpyrimidin-4-yl)azetidine-3-carboxamide
CID 121168715
N-(1,2-oxazol-3-yl)-1-(6-pyrazol-1-ylpyrimidin-4-yl)azetidine-3-carboxamide
CID 121168746
1-(6-pyrazol-1-ylpyrimidin-4-yl)-N-pyridin-4-ylpiperidine-3-carboxamide
CID 90520525
N-[4-fluoro-3-(trifluoromethyl)phenyl]-1-(6-phenylpyrimidin-4-yl)piperidine-3-carboxamide
CID 90519241
(3S)-N-(3-chloro-4-methylphenyl)-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-3-carboxamide
CID 95369280
N-(3,4-dimethoxyphenyl)-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-3-carboxamide
CID 90520509
N-(5-cyano-1,3-thiazol-2-yl)-1-(6-pyrazol-1-ylpyrimidin-4-yl)azetidine-3-carboxamide
CID 166887789
N-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropanecarboxamide
CID 47081962
1-(4-fluoro-1,3-benzothiazol-2-yl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]azetidine-3-carboxamide
CID 90604491
N-(3,5-dimethoxyphenyl)-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-3-carboxamide
CID 90520586
N-(2-methoxy-5-nitrophenyl)-1-(6-pyrazol-1-ylpyrimidin-4-yl)azetidine-3-carboxamide
CID 121168722

Frequently Asked Questions

What is the IUPAC name of N-[4-fluoro-3-(trifluoromethyl)phenyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)azetidine-3-carboxamide?
The IUPAC name of N-[4-fluoro-3-(trifluoromethyl)phenyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)azetidine-3-carboxamide (CID 121168682) is N-[4-fluoro-3-(trifluoromethyl)phenyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)azetidine-3-carboxamide.
What is the SMILES notation for N-[4-fluoro-3-(trifluoromethyl)phenyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)azetidine-3-carboxamide?
The canonical SMILES for N-[4-fluoro-3-(trifluoromethyl)phenyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)azetidine-3-carboxamide is O=C(Nc1ccc(F)c(C(F)(F)F)c1)C1CN(c2cc(-n3cccn3)ncn2)C1.
What is the InChIKey of N-[4-fluoro-3-(trifluoromethyl)phenyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)azetidine-3-carboxamide?
The InChIKey is DXBQZGJFCSZSFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F4N6O/c19-14-3-2-12(6-13(14)18(20,21)22)26-17(29)11-8-27(9-11)15-7-16(24-10-23-15)28-5-1-4-25-28/h1-7,10-11H,8-9H2,(H,26,29).
What are the key properties of N-[4-fluoro-3-(trifluoromethyl)phenyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)azetidine-3-carboxamide?
N-[4-fluoro-3-(trifluoromethyl)phenyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)azetidine-3-carboxamide has a molecular weight of 406.34 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-fluoro-3-(trifluoromethyl)phenyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)azetidine-3-carboxamide is sourced from PubChem (CID 121168682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).