N-[4-(azetidin-3-yloxy)phenyl]-4-chloro-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide

C15H14ClF3N4O2 — CID 118903633

IUPACN-[4-(azetidin-3-yloxy)phenyl]-4-chloro-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
SMILESCn1nc(C(=O)Nc2ccc(OC3CNC3)cc2)c(Cl)c1C(F)(F)F
InChIInChI=1S/C15H14ClF3N4O2/c1-23-13(15(17,18)19)11(16)12(22-23)14(24)21-8-2-4-9(5-3-8)25-10-6-20-7-10/h2-5,10,20H,6-7H2,1H3,(H,21,24)
InChIKeyZVAYEPKGIBPWSZ-UHFFFAOYSA-N
MW374.75 g/mol
LogP2.70
Rot. Bonds4

About N-[4-(azetidin-3-yloxy)phenyl]-4-chloro-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide

N-[4-(azetidin-3-yloxy)phenyl]-4-chloro-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide (PubChem CID 118903633) has the molecular formula C15H14ClF3N4O2 and a molecular weight of 374.75 g/mol. Its IUPAC name is N-[4-(azetidin-3-yloxy)phenyl]-4-chloro-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-(azetidin-3-yloxy)phenyl]-4-chloro-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
PubChem CID118903633
Molecular FormulaC15H14ClF3N4O2
Molecular Weight374.75 g/mol
Exact Mass374.08
IUPAC NameN-[4-(azetidin-3-yloxy)phenyl]-4-chloro-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
SMILESCn1nc(C(=O)Nc2ccc(OC3CNC3)cc2)c(Cl)c1C(F)(F)F
InChIInChI=1S/C15H14ClF3N4O2/c1-23-13(15(17,18)19)11(16)12(22-23)14(24)21-8-2-4-9(5-3-8)25-10-6-20-7-10/h2-5,10,20H,6-7H2,1H3,(H,21,24)
InChIKeyZVAYEPKGIBPWSZ-UHFFFAOYSA-N
XLogP2.70
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.75
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[4-(azetidin-3-yloxy)phenyl]-4-chloro-1-methyl-5-(trifluoromethyl)pyrazole-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-(azetidin-3-yloxy)phenyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 118903760
N-[4-(azetidin-3-yloxy)phenyl]-5-ethyl-4-methyl-1H-pyrazole-3-carboxamide
CID 118903664
4-chloro-1-methyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 19267893
N-[4-(azetidin-3-yloxy)phenyl]-4-(1-chloro-2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide
CID 118903240
4-chloro-N-(2,6-dimethylphenyl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 19267877
4-chloro-N-ethyl-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 19268098
4-chloro-N-(3-methoxy-5-nitrophenyl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 19267925
4-chloro-N-(2,3-dimethylphenyl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 19267839
4-chloro-N-(2-fluoro-5-methylphenyl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 19267924
4-chloro-N-cyclopentyl-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 4768527
[[4-(azetidin-3-yloxy)benzoyl]amino] 2,2,2-trifluoroacetate
CID 156785712
4-chloro-1-methyl-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 19267950

Frequently Asked Questions

What is the IUPAC name of N-[4-(azetidin-3-yloxy)phenyl]-4-chloro-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide?
The IUPAC name of N-[4-(azetidin-3-yloxy)phenyl]-4-chloro-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide (CID 118903633) is N-[4-(azetidin-3-yloxy)phenyl]-4-chloro-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide.
What is the SMILES notation for N-[4-(azetidin-3-yloxy)phenyl]-4-chloro-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide?
The canonical SMILES for N-[4-(azetidin-3-yloxy)phenyl]-4-chloro-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide is Cn1nc(C(=O)Nc2ccc(OC3CNC3)cc2)c(Cl)c1C(F)(F)F.
What is the InChIKey of N-[4-(azetidin-3-yloxy)phenyl]-4-chloro-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide?
The InChIKey is ZVAYEPKGIBPWSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClF3N4O2/c1-23-13(15(17,18)19)11(16)12(22-23)14(24)21-8-2-4-9(5-3-8)25-10-6-20-7-10/h2-5,10,20H,6-7H2,1H3,(H,21,24).
What are the key properties of N-[4-(azetidin-3-yloxy)phenyl]-4-chloro-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide?
N-[4-(azetidin-3-yloxy)phenyl]-4-chloro-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide has a molecular weight of 374.75 g/mol, XLogP of 2.70, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(azetidin-3-yloxy)phenyl]-4-chloro-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 118903633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).