5-piperidin-1-yl-N-[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl]pentanamide

C20H25F3N4O — CID 24998044

IUPAC5-piperidin-1-yl-N-[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl]pentanamide
SMILESO=C(CCCCN1CCCCC1)Nc1cc(-c2ccc(C(F)(F)F)cc2)[nH]n1
InChIInChI=1S/C20H25F3N4O/c21-20(22,23)16-9-7-15(8-10-16)17-14-18(26-25-17)24-19(28)6-2-5-13-27-11-3-1-4-12-27/h7-10,14H,1-6,11-13H2,(H2,24,25,26,28)
InChIKeyAEZVYNVHNCDBQX-UHFFFAOYSA-N
MW394.44 g/mol
LogP4.69
Rot. Bonds7

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

5-piperidin-1-yl-N-[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl]pentanamide (PubChem CID 24998044) has the molecular formula C20H25F3N4O and a molecular weight of 394.44 g/mol. Its IUPAC name is 5-piperidin-1-yl-N-[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl]pentanamide.

Molecular Properties

Compound Name5-piperidin-1-yl-N-[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl]pentanamide
PubChem CID24998044
Molecular FormulaC20H25F3N4O
Molecular Weight394.44 g/mol
Exact Mass394.20
IUPAC Name5-piperidin-1-yl-N-[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl]pentanamide
SMILESO=C(CCCCN1CCCCC1)Nc1cc(-c2ccc(C(F)(F)F)cc2)[nH]n1
InChIInChI=1S/C20H25F3N4O/c21-20(22,23)16-9-7-15(8-10-16)17-14-18(26-25-17)24-19(28)6-2-5-13-27-11-3-1-4-12-27/h7-10,14H,1-6,11-13H2,(H2,24,25,26,28)
InChIKeyAEZVYNVHNCDBQX-UHFFFAOYSA-N
XLogP4.69
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.44
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-piperidin-1-yl-N-[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl]pentanamide?
The IUPAC name of 5-piperidin-1-yl-N-[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl]pentanamide (CID 24998044) is 5-piperidin-1-yl-N-[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl]pentanamide.
What is the SMILES notation for 5-piperidin-1-yl-N-[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl]pentanamide?
The canonical SMILES for 5-piperidin-1-yl-N-[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl]pentanamide is O=C(CCCCN1CCCCC1)Nc1cc(-c2ccc(C(F)(F)F)cc2)[nH]n1.
What is the InChIKey of 5-piperidin-1-yl-N-[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl]pentanamide?
The InChIKey is AEZVYNVHNCDBQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25F3N4O/c21-20(22,23)16-9-7-15(8-10-16)17-14-18(26-25-17)24-19(28)6-2-5-13-27-11-3-1-4-12-27/h7-10,14H,1-6,11-13H2,(H2,24,25,26,28).
What are the key properties of 5-piperidin-1-yl-N-[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl]pentanamide?
5-piperidin-1-yl-N-[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl]pentanamide has a molecular weight of 394.44 g/mol, XLogP of 4.69, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-piperidin-1-yl-N-[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl]pentanamide is sourced from PubChem (CID 24998044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).