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

C15H15F3N4O2 — CID 118903343

IUPACN-[4-(azetidin-3-yloxy)phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCn1nc(C(F)(F)F)cc1C(=O)Nc1ccc(OC2CNC2)cc1
InChIInChI=1S/C15H15F3N4O2/c1-22-12(6-13(21-22)15(16,17)18)14(23)20-9-2-4-10(5-3-9)24-11-7-19-8-11/h2-6,11,19H,7-8H2,1H3,(H,20,23)
InChIKeyWMCHETDASCSZIK-UHFFFAOYSA-N
MW340.31 g/mol
LogP2.04
Rot. Bonds4

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

N-[4-(azetidin-3-yloxy)phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide (PubChem CID 118903343) has the molecular formula C15H15F3N4O2 and a molecular weight of 340.31 g/mol. Its IUPAC name is N-[4-(azetidin-3-yloxy)phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-(azetidin-3-yloxy)phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
PubChem CID118903343
Molecular FormulaC15H15F3N4O2
Molecular Weight340.31 g/mol
Exact Mass340.11
IUPAC NameN-[4-(azetidin-3-yloxy)phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCn1nc(C(F)(F)F)cc1C(=O)Nc1ccc(OC2CNC2)cc1
InChIInChI=1S/C15H15F3N4O2/c1-22-12(6-13(21-22)15(16,17)18)14(23)20-9-2-4-10(5-3-9)24-11-7-19-8-11/h2-6,11,19H,7-8H2,1H3,(H,20,23)
InChIKeyWMCHETDASCSZIK-UHFFFAOYSA-N
XLogP2.04
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.31
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(azetidin-3-yloxy)phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The IUPAC name of N-[4-(azetidin-3-yloxy)phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide (CID 118903343) is N-[4-(azetidin-3-yloxy)phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide.
What is the SMILES notation for N-[4-(azetidin-3-yloxy)phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The canonical SMILES for N-[4-(azetidin-3-yloxy)phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide is Cn1nc(C(F)(F)F)cc1C(=O)Nc1ccc(OC2CNC2)cc1.
What is the InChIKey of N-[4-(azetidin-3-yloxy)phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The InChIKey is WMCHETDASCSZIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N4O2/c1-22-12(6-13(21-22)15(16,17)18)14(23)20-9-2-4-10(5-3-9)24-11-7-19-8-11/h2-6,11,19H,7-8H2,1H3,(H,20,23).
What are the key properties of N-[4-(azetidin-3-yloxy)phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
N-[4-(azetidin-3-yloxy)phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide has a molecular weight of 340.31 g/mol, XLogP of 2.04, 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]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 118903343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).