2-[1-[[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]piperidin-4-yl]acetic acid

C14H20F3N3O2 — CID 25248528

IUPAC2-[1-[[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]piperidin-4-yl]acetic acid
SMILESCCn1nc(C(F)(F)F)cc1CN1CCC(CC(=O)O)CC1
InChIInChI=1S/C14H20F3N3O2/c1-2-20-11(8-12(18-20)14(15,16)17)9-19-5-3-10(4-6-19)7-13(21)22/h8,10H,2-7,9H2,1H3,(H,21,22)
InChIKeyCJEFMWQYLFFPTH-UHFFFAOYSA-N
MW319.33 g/mol
LogP2.61
Rot. Bonds5

About 2-[1-[[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]piperidin-4-yl]acetic acid

2-[1-[[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]piperidin-4-yl]acetic acid (PubChem CID 25248528) has the molecular formula C14H20F3N3O2 and a molecular weight of 319.33 g/mol. Its IUPAC name is 2-[1-[[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]piperidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]piperidin-4-yl]acetic acid
PubChem CID25248528
Molecular FormulaC14H20F3N3O2
Molecular Weight319.33 g/mol
Exact Mass319.15
IUPAC Name2-[1-[[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]piperidin-4-yl]acetic acid
SMILESCCn1nc(C(F)(F)F)cc1CN1CCC(CC(=O)O)CC1
InChIInChI=1S/C14H20F3N3O2/c1-2-20-11(8-12(18-20)14(15,16)17)9-19-5-3-10(4-6-19)7-13(21)22/h8,10H,2-7,9H2,1H3,(H,21,22)
InChIKeyCJEFMWQYLFFPTH-UHFFFAOYSA-N
XLogP2.61
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.33
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]piperidin-4-yl]acetic acid?
The IUPAC name of 2-[1-[[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]piperidin-4-yl]acetic acid (CID 25248528) is 2-[1-[[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]piperidin-4-yl]acetic acid.
What is the SMILES notation for 2-[1-[[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]piperidin-4-yl]acetic acid?
The canonical SMILES for 2-[1-[[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]piperidin-4-yl]acetic acid is CCn1nc(C(F)(F)F)cc1CN1CCC(CC(=O)O)CC1.
What is the InChIKey of 2-[1-[[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]piperidin-4-yl]acetic acid?
The InChIKey is CJEFMWQYLFFPTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N3O2/c1-2-20-11(8-12(18-20)14(15,16)17)9-19-5-3-10(4-6-19)7-13(21)22/h8,10H,2-7,9H2,1H3,(H,21,22).
What are the key properties of 2-[1-[[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]piperidin-4-yl]acetic acid?
2-[1-[[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]piperidin-4-yl]acetic acid has a molecular weight of 319.33 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]piperidin-4-yl]acetic acid is sourced from PubChem (CID 25248528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).