5-[4-(1H-pyrazol-5-ylmethyl)piperidine-1-carbonyl]-3-(trifluoromethyl)-1H-pyridin-2-one

C16H17F3N4O2 — CID 166280074

IUPAC5-[4-(1H-pyrazol-5-ylmethyl)piperidine-1-carbonyl]-3-(trifluoromethyl)-1H-pyridin-2-one
SMILESO=C(c1c[nH]c(=O)c(C(F)(F)F)c1)N1CCC(Cc2ccn[nH]2)CC1
InChIInChI=1S/C16H17F3N4O2/c17-16(18,19)13-8-11(9-20-14(13)24)15(25)23-5-2-10(3-6-23)7-12-1-4-21-22-12/h1,4,8-10H,2-3,5-7H2,(H,20,24)(H,21,22)
InChIKeyKIXNEGGMSSROML-UHFFFAOYSA-N
MW354.33 g/mol
LogP2.21
Rot. Bonds3

About 5-[4-(1H-pyrazol-5-ylmethyl)piperidine-1-carbonyl]-3-(trifluoromethyl)-1H-pyridin-2-one

5-[4-(1H-pyrazol-5-ylmethyl)piperidine-1-carbonyl]-3-(trifluoromethyl)-1H-pyridin-2-one (PubChem CID 166280074) has the molecular formula C16H17F3N4O2 and a molecular weight of 354.33 g/mol. Its IUPAC name is 5-[4-(1H-pyrazol-5-ylmethyl)piperidine-1-carbonyl]-3-(trifluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[4-(1H-pyrazol-5-ylmethyl)piperidine-1-carbonyl]-3-(trifluoromethyl)-1H-pyridin-2-one
PubChem CID166280074
Molecular FormulaC16H17F3N4O2
Molecular Weight354.33 g/mol
Exact Mass354.13
IUPAC Name5-[4-(1H-pyrazol-5-ylmethyl)piperidine-1-carbonyl]-3-(trifluoromethyl)-1H-pyridin-2-one
SMILESO=C(c1c[nH]c(=O)c(C(F)(F)F)c1)N1CCC(Cc2ccn[nH]2)CC1
InChIInChI=1S/C16H17F3N4O2/c17-16(18,19)13-8-11(9-20-14(13)24)15(25)23-5-2-10(3-6-23)7-12-1-4-21-22-12/h1,4,8-10H,2-3,5-7H2,(H,20,24)(H,21,22)
InChIKeyKIXNEGGMSSROML-UHFFFAOYSA-N
XLogP2.21
TPSA81.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.33
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(1H-pyrazol-5-ylmethyl)piperidine-1-carbonyl]-3-(trifluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 5-[4-(1H-pyrazol-5-ylmethyl)piperidine-1-carbonyl]-3-(trifluoromethyl)-1H-pyridin-2-one (CID 166280074) is 5-[4-(1H-pyrazol-5-ylmethyl)piperidine-1-carbonyl]-3-(trifluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 5-[4-(1H-pyrazol-5-ylmethyl)piperidine-1-carbonyl]-3-(trifluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 5-[4-(1H-pyrazol-5-ylmethyl)piperidine-1-carbonyl]-3-(trifluoromethyl)-1H-pyridin-2-one is O=C(c1c[nH]c(=O)c(C(F)(F)F)c1)N1CCC(Cc2ccn[nH]2)CC1.
What is the InChIKey of 5-[4-(1H-pyrazol-5-ylmethyl)piperidine-1-carbonyl]-3-(trifluoromethyl)-1H-pyridin-2-one?
The InChIKey is KIXNEGGMSSROML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N4O2/c17-16(18,19)13-8-11(9-20-14(13)24)15(25)23-5-2-10(3-6-23)7-12-1-4-21-22-12/h1,4,8-10H,2-3,5-7H2,(H,20,24)(H,21,22).
What are the key properties of 5-[4-(1H-pyrazol-5-ylmethyl)piperidine-1-carbonyl]-3-(trifluoromethyl)-1H-pyridin-2-one?
5-[4-(1H-pyrazol-5-ylmethyl)piperidine-1-carbonyl]-3-(trifluoromethyl)-1H-pyridin-2-one has a molecular weight of 354.33 g/mol, XLogP of 2.21, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(1H-pyrazol-5-ylmethyl)piperidine-1-carbonyl]-3-(trifluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 166280074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).