3-(1H-pyrazol-4-yl)piperidine;2,2,2-trifluoroacetic acid

C10H14F3N3O2 — CID 175769991

IUPAC3-(1H-pyrazol-4-yl)piperidine;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.c1n[nH]cc1C1CCCNC1
InChIInChI=1S/C8H13N3.C2HF3O2/c1-2-7(4-9-3-1)8-5-10-11-6-8;3-2(4,5)1(6)7/h5-7,9H,1-4H2,(H,10,11);(H,6,7)
InChIKeyPIRPCQHDMPSJMI-UHFFFAOYSA-N
MW265.23 g/mol
LogP1.51
Rot. Bonds1

About 3-(1H-pyrazol-4-yl)piperidine;2,2,2-trifluoroacetic acid

3-(1H-pyrazol-4-yl)piperidine;2,2,2-trifluoroacetic acid (PubChem CID 175769991) has the molecular formula C10H14F3N3O2 and a molecular weight of 265.23 g/mol. Its IUPAC name is 3-(1H-pyrazol-4-yl)piperidine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name3-(1H-pyrazol-4-yl)piperidine;2,2,2-trifluoroacetic acid
PubChem CID175769991
Molecular FormulaC10H14F3N3O2
Molecular Weight265.23 g/mol
Exact Mass265.10
IUPAC Name3-(1H-pyrazol-4-yl)piperidine;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.c1n[nH]cc1C1CCCNC1
InChIInChI=1S/C8H13N3.C2HF3O2/c1-2-7(4-9-3-1)8-5-10-11-6-8;3-2(4,5)1(6)7/h5-7,9H,1-4H2,(H,10,11);(H,6,7)
InChIKeyPIRPCQHDMPSJMI-UHFFFAOYSA-N
XLogP1.51
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.23
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1H-pyrazol-4-yl)piperidine;2,2,2-trifluoroacetic acid?
The IUPAC name of 3-(1H-pyrazol-4-yl)piperidine;2,2,2-trifluoroacetic acid (CID 175769991) is 3-(1H-pyrazol-4-yl)piperidine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 3-(1H-pyrazol-4-yl)piperidine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 3-(1H-pyrazol-4-yl)piperidine;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.c1n[nH]cc1C1CCCNC1.
What is the InChIKey of 3-(1H-pyrazol-4-yl)piperidine;2,2,2-trifluoroacetic acid?
The InChIKey is PIRPCQHDMPSJMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3.C2HF3O2/c1-2-7(4-9-3-1)8-5-10-11-6-8;3-2(4,5)1(6)7/h5-7,9H,1-4H2,(H,10,11);(H,6,7).
What are the key properties of 3-(1H-pyrazol-4-yl)piperidine;2,2,2-trifluoroacetic acid?
3-(1H-pyrazol-4-yl)piperidine;2,2,2-trifluoroacetic acid has a molecular weight of 265.23 g/mol, XLogP of 1.51, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-pyrazol-4-yl)piperidine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 175769991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).