1-[5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-2-carbonyl]piperidin-4-one

C14H12F3N3O2S — CID 71166134

IUPAC1-[5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-2-carbonyl]piperidin-4-one
SMILESO=C1CCN(C(=O)c2ccc(-c3cc(C(F)(F)F)[nH]n3)s2)CC1
InChIInChI=1S/C14H12F3N3O2S/c15-14(16,17)12-7-9(18-19-12)10-1-2-11(23-10)13(22)20-5-3-8(21)4-6-20/h1-2,7H,3-6H2,(H,18,19)
InChIKeyMGTAQLNFDREGLC-UHFFFAOYSA-N
MW343.33 g/mol
LogP2.96
Rot. Bonds2

About 1-[5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-2-carbonyl]piperidin-4-one

1-[5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-2-carbonyl]piperidin-4-one (PubChem CID 71166134) has the molecular formula C14H12F3N3O2S and a molecular weight of 343.33 g/mol. Its IUPAC name is 1-[5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-2-carbonyl]piperidin-4-one.

Molecular Properties

Compound Name1-[5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-2-carbonyl]piperidin-4-one
PubChem CID71166134
Molecular FormulaC14H12F3N3O2S
Molecular Weight343.33 g/mol
Exact Mass343.06
IUPAC Name1-[5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-2-carbonyl]piperidin-4-one
SMILESO=C1CCN(C(=O)c2ccc(-c3cc(C(F)(F)F)[nH]n3)s2)CC1
InChIInChI=1S/C14H12F3N3O2S/c15-14(16,17)12-7-9(18-19-12)10-1-2-11(23-10)13(22)20-5-3-8(21)4-6-20/h1-2,7H,3-6H2,(H,18,19)
InChIKeyMGTAQLNFDREGLC-UHFFFAOYSA-N
XLogP2.96
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.33
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-2-carbonyl]piperidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-2-carbonyl]piperidin-4-one?
The IUPAC name of 1-[5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-2-carbonyl]piperidin-4-one (CID 71166134) is 1-[5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-2-carbonyl]piperidin-4-one.
What is the SMILES notation for 1-[5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-2-carbonyl]piperidin-4-one?
The canonical SMILES for 1-[5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-2-carbonyl]piperidin-4-one is O=C1CCN(C(=O)c2ccc(-c3cc(C(F)(F)F)[nH]n3)s2)CC1.
What is the InChIKey of 1-[5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-2-carbonyl]piperidin-4-one?
The InChIKey is MGTAQLNFDREGLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N3O2S/c15-14(16,17)12-7-9(18-19-12)10-1-2-11(23-10)13(22)20-5-3-8(21)4-6-20/h1-2,7H,3-6H2,(H,18,19).
What are the key properties of 1-[5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-2-carbonyl]piperidin-4-one?
1-[5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-2-carbonyl]piperidin-4-one has a molecular weight of 343.33 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-2-carbonyl]piperidin-4-one is sourced from PubChem (CID 71166134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).