1-[5-(trifluoromethyl)-1H-pyrazol-3-yl]piperidine-4-carboxylic acid

C10H12F3N3O2 — CID 133054089

IUPAC1-[5-(trifluoromethyl)-1H-pyrazol-3-yl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(c2cc(C(F)(F)F)[nH]n2)CC1
InChIInChI=1S/C10H12F3N3O2/c11-10(12,13)7-5-8(15-14-7)16-3-1-6(2-4-16)9(17)18/h5-6H,1-4H2,(H,14,15)(H,17,18)
InChIKeyASNXZAJFKODWLL-UHFFFAOYSA-N
MW263.22 g/mol
LogP1.73
Rot. Bonds2

About 1-[5-(trifluoromethyl)-1H-pyrazol-3-yl]piperidine-4-carboxylic acid

1-[5-(trifluoromethyl)-1H-pyrazol-3-yl]piperidine-4-carboxylic acid (PubChem CID 133054089) has the molecular formula C10H12F3N3O2 and a molecular weight of 263.22 g/mol. Its IUPAC name is 1-[5-(trifluoromethyl)-1H-pyrazol-3-yl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[5-(trifluoromethyl)-1H-pyrazol-3-yl]piperidine-4-carboxylic acid
PubChem CID133054089
Molecular FormulaC10H12F3N3O2
Molecular Weight263.22 g/mol
Exact Mass263.09
IUPAC Name1-[5-(trifluoromethyl)-1H-pyrazol-3-yl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(c2cc(C(F)(F)F)[nH]n2)CC1
InChIInChI=1S/C10H12F3N3O2/c11-10(12,13)7-5-8(15-14-7)16-3-1-6(2-4-16)9(17)18/h5-6H,1-4H2,(H,14,15)(H,17,18)
InChIKeyASNXZAJFKODWLL-UHFFFAOYSA-N
XLogP1.73
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.22
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-(3-bromophenyl)-1H-pyrazol-3-yl]piperidine-4-carboxylic acid
CID 112707623
tert-butyl N-methyl-N-[(3R)-1-[5-(trifluoromethyl)-1H-pyrazol-3-yl]piperidin-3-yl]carbamate
CID 165119706
6-(4-carboxypiperidin-1-yl)pyridine-3-carboxylic acid
CID 71212709
CID 149240889
CID 149240889
1-[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]piperidine-4-carboxylic acid
CID 56771437
3-[(3S)-3-hydroxypyrrolidin-1-yl]-5-(trifluoromethyl)-1H-pyridazin-6-one
CID 167228912
1-[6-(difluoromethyl)pyrimidin-4-yl]piperidine-4-carboxylic acid
CID 126849074
1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxylic acid
CID 170716685
1-(6-aminopyrimidin-4-yl)piperidine-4-carboxylic acid
CID 170957533
1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidine-3-carboxylic acid
CID 102549339
1-(1H-1,2,4-triazol-5-yl)piperidine-4-carboxylic acid
CID 175941720
[(2S,6R)-4-azatricyclo[5.2.2.02,6]undecan-4-yl]-[5-(trifluoromethyl)-1H-pyrazol-3-yl]methanone
CID 56867363

Frequently Asked Questions

What is the IUPAC name of 1-[5-(trifluoromethyl)-1H-pyrazol-3-yl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[5-(trifluoromethyl)-1H-pyrazol-3-yl]piperidine-4-carboxylic acid (CID 133054089) is 1-[5-(trifluoromethyl)-1H-pyrazol-3-yl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[5-(trifluoromethyl)-1H-pyrazol-3-yl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[5-(trifluoromethyl)-1H-pyrazol-3-yl]piperidine-4-carboxylic acid is O=C(O)C1CCN(c2cc(C(F)(F)F)[nH]n2)CC1.
What is the InChIKey of 1-[5-(trifluoromethyl)-1H-pyrazol-3-yl]piperidine-4-carboxylic acid?
The InChIKey is ASNXZAJFKODWLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3O2/c11-10(12,13)7-5-8(15-14-7)16-3-1-6(2-4-16)9(17)18/h5-6H,1-4H2,(H,14,15)(H,17,18).
What are the key properties of 1-[5-(trifluoromethyl)-1H-pyrazol-3-yl]piperidine-4-carboxylic acid?
1-[5-(trifluoromethyl)-1H-pyrazol-3-yl]piperidine-4-carboxylic acid has a molecular weight of 263.22 g/mol, XLogP of 1.73, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(trifluoromethyl)-1H-pyrazol-3-yl]piperidine-4-carboxylic acid is sourced from PubChem (CID 133054089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).