N-[1-(5-methyl-1H-pyrazol-3-yl)piperidin-4-yl]-2-[3-(trifluoromethyl)phenyl]acetamide

C18H21F3N4O — CID 91818009

IUPACN-[1-(5-methyl-1H-pyrazol-3-yl)piperidin-4-yl]-2-[3-(trifluoromethyl)phenyl]acetamide
SMILESCc1cc(N2CCC(NC(=O)Cc3cccc(C(F)(F)F)c3)CC2)n[nH]1
InChIInChI=1S/C18H21F3N4O/c1-12-9-16(24-23-12)25-7-5-15(6-8-25)22-17(26)11-13-3-2-4-14(10-13)18(19,20)21/h2-4,9-10,15H,5-8,11H2,1H3,(H,22,26)(H,23,24)
InChIKeyTXTUYGVPFIALBD-UHFFFAOYSA-N
MW366.39 g/mol
LogP3.06
Rot. Bonds4

About N-[1-(5-methyl-1H-pyrazol-3-yl)piperidin-4-yl]-2-[3-(trifluoromethyl)phenyl]acetamide

N-[1-(5-methyl-1H-pyrazol-3-yl)piperidin-4-yl]-2-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 91818009) has the molecular formula C18H21F3N4O and a molecular weight of 366.39 g/mol. Its IUPAC name is N-[1-(5-methyl-1H-pyrazol-3-yl)piperidin-4-yl]-2-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[1-(5-methyl-1H-pyrazol-3-yl)piperidin-4-yl]-2-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID91818009
Molecular FormulaC18H21F3N4O
Molecular Weight366.39 g/mol
Exact Mass366.17
IUPAC NameN-[1-(5-methyl-1H-pyrazol-3-yl)piperidin-4-yl]-2-[3-(trifluoromethyl)phenyl]acetamide
SMILESCc1cc(N2CCC(NC(=O)Cc3cccc(C(F)(F)F)c3)CC2)n[nH]1
InChIInChI=1S/C18H21F3N4O/c1-12-9-16(24-23-12)25-7-5-15(6-8-25)22-17(26)11-13-3-2-4-14(10-13)18(19,20)21/h2-4,9-10,15H,5-8,11H2,1H3,(H,22,26)(H,23,24)
InChIKeyTXTUYGVPFIALBD-UHFFFAOYSA-N
XLogP3.06
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.39
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(5-methyl-1H-pyrazol-3-yl)piperidin-4-yl]-2-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-[1-(5-methyl-1H-pyrazol-3-yl)piperidin-4-yl]-2-[3-(trifluoromethyl)phenyl]acetamide (CID 91818009) is N-[1-(5-methyl-1H-pyrazol-3-yl)piperidin-4-yl]-2-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-[1-(5-methyl-1H-pyrazol-3-yl)piperidin-4-yl]-2-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-[1-(5-methyl-1H-pyrazol-3-yl)piperidin-4-yl]-2-[3-(trifluoromethyl)phenyl]acetamide is Cc1cc(N2CCC(NC(=O)Cc3cccc(C(F)(F)F)c3)CC2)n[nH]1.
What is the InChIKey of N-[1-(5-methyl-1H-pyrazol-3-yl)piperidin-4-yl]-2-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is TXTUYGVPFIALBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F3N4O/c1-12-9-16(24-23-12)25-7-5-15(6-8-25)22-17(26)11-13-3-2-4-14(10-13)18(19,20)21/h2-4,9-10,15H,5-8,11H2,1H3,(H,22,26)(H,23,24).
What are the key properties of N-[1-(5-methyl-1H-pyrazol-3-yl)piperidin-4-yl]-2-[3-(trifluoromethyl)phenyl]acetamide?
N-[1-(5-methyl-1H-pyrazol-3-yl)piperidin-4-yl]-2-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 366.39 g/mol, XLogP of 3.06, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-methyl-1H-pyrazol-3-yl)piperidin-4-yl]-2-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 91818009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).