4-(azetidin-1-yl)-N-[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl]butanamide

C17H19F3N4O — CID 24998675

IUPAC4-(azetidin-1-yl)-N-[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl]butanamide
SMILESO=C(CCCN1CCC1)Nc1cc(-c2ccc(C(F)(F)F)cc2)[nH]n1
InChIInChI=1S/C17H19F3N4O/c18-17(19,20)13-6-4-12(5-7-13)14-11-15(23-22-14)21-16(25)3-1-8-24-9-2-10-24/h4-7,11H,1-3,8-10H2,(H2,21,22,23,25)
InChIKeyDVXPXUTXZNUEJS-UHFFFAOYSA-N
MW352.36 g/mol
LogP3.52
Rot. Bonds6

About 4-(azetidin-1-yl)-N-[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl]butanamide

4-(azetidin-1-yl)-N-[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl]butanamide (PubChem CID 24998675) has the molecular formula C17H19F3N4O and a molecular weight of 352.36 g/mol. Its IUPAC name is 4-(azetidin-1-yl)-N-[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl]butanamide.

Molecular Properties

Compound Name4-(azetidin-1-yl)-N-[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl]butanamide
PubChem CID24998675
Molecular FormulaC17H19F3N4O
Molecular Weight352.36 g/mol
Exact Mass352.15
IUPAC Name4-(azetidin-1-yl)-N-[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl]butanamide
SMILESO=C(CCCN1CCC1)Nc1cc(-c2ccc(C(F)(F)F)cc2)[nH]n1
InChIInChI=1S/C17H19F3N4O/c18-17(19,20)13-6-4-12(5-7-13)14-11-15(23-22-14)21-16(25)3-1-8-24-9-2-10-24/h4-7,11H,1-3,8-10H2,(H2,21,22,23,25)
InChIKeyDVXPXUTXZNUEJS-UHFFFAOYSA-N
XLogP3.52
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.36
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(azetidin-1-yl)-N-[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl]butanamide?
The IUPAC name of 4-(azetidin-1-yl)-N-[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl]butanamide (CID 24998675) is 4-(azetidin-1-yl)-N-[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl]butanamide.
What is the SMILES notation for 4-(azetidin-1-yl)-N-[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl]butanamide?
The canonical SMILES for 4-(azetidin-1-yl)-N-[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl]butanamide is O=C(CCCN1CCC1)Nc1cc(-c2ccc(C(F)(F)F)cc2)[nH]n1.
What is the InChIKey of 4-(azetidin-1-yl)-N-[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl]butanamide?
The InChIKey is DVXPXUTXZNUEJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N4O/c18-17(19,20)13-6-4-12(5-7-13)14-11-15(23-22-14)21-16(25)3-1-8-24-9-2-10-24/h4-7,11H,1-3,8-10H2,(H2,21,22,23,25).
What are the key properties of 4-(azetidin-1-yl)-N-[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl]butanamide?
4-(azetidin-1-yl)-N-[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl]butanamide has a molecular weight of 352.36 g/mol, XLogP of 3.52, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azetidin-1-yl)-N-[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl]butanamide is sourced from PubChem (CID 24998675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).