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

C10H12F3N3O2 — CID 130366471

IUPAC4-[4-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(n2cc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C10H12F3N3O2/c11-10(12,13)7-5-14-16(6-7)8-1-3-15(4-2-8)9(17)18/h5-6,8H,1-4H2,(H,17,18)
InChIKeyQHPZTJHMJFRFRW-UHFFFAOYSA-N
MW263.22 g/mol
LogP2.22
Rot. Bonds1

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

4-[4-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxylic acid (PubChem CID 130366471) has the molecular formula C10H12F3N3O2 and a molecular weight of 263.22 g/mol. Its IUPAC name is 4-[4-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[4-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxylic acid
PubChem CID130366471
Molecular FormulaC10H12F3N3O2
Molecular Weight263.22 g/mol
Exact Mass263.09
IUPAC Name4-[4-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(n2cc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C10H12F3N3O2/c11-10(12,13)7-5-14-16(6-7)8-1-3-15(4-2-8)9(17)18/h5-6,8H,1-4H2,(H,17,18)
InChIKeyQHPZTJHMJFRFRW-UHFFFAOYSA-N
XLogP2.22
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.22
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxylic acid?
The IUPAC name of 4-[4-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxylic acid (CID 130366471) is 4-[4-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[4-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[4-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxylic acid is O=C(O)N1CCC(n2cc(C(F)(F)F)cn2)CC1.
What is the InChIKey of 4-[4-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxylic acid?
The InChIKey is QHPZTJHMJFRFRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3O2/c11-10(12,13)7-5-14-16(6-7)8-1-3-15(4-2-8)9(17)18/h5-6,8H,1-4H2,(H,17,18).
What are the key properties of 4-[4-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxylic acid?
4-[4-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxylic acid has a molecular weight of 263.22 g/mol, XLogP of 2.22, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxylic acid is sourced from PubChem (CID 130366471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).