4-(2-methylpyrazol-3-yl)piperidine;2,2,2-trifluoroacetic acid

C11H16F3N3O2 — CID 69444558

IUPAC4-(2-methylpyrazol-3-yl)piperidine;2,2,2-trifluoroacetic acid
SMILESCn1nccc1C1CCNCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C9H15N3.C2HF3O2/c1-12-9(4-7-11-12)8-2-5-10-6-3-8;3-2(4,5)1(6)7/h4,7-8,10H,2-3,5-6H2,1H3;(H,6,7)
InChIKeyTWBQPDRVEOWDHT-UHFFFAOYSA-N
MW279.26 g/mol
LogP1.52
Rot. Bonds1

About 4-(2-methylpyrazol-3-yl)piperidine;2,2,2-trifluoroacetic acid

4-(2-methylpyrazol-3-yl)piperidine;2,2,2-trifluoroacetic acid (PubChem CID 69444558) has the molecular formula C11H16F3N3O2 and a molecular weight of 279.26 g/mol. Its IUPAC name is 4-(2-methylpyrazol-3-yl)piperidine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name4-(2-methylpyrazol-3-yl)piperidine;2,2,2-trifluoroacetic acid
PubChem CID69444558
Molecular FormulaC11H16F3N3O2
Molecular Weight279.26 g/mol
Exact Mass279.12
IUPAC Name4-(2-methylpyrazol-3-yl)piperidine;2,2,2-trifluoroacetic acid
SMILESCn1nccc1C1CCNCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C9H15N3.C2HF3O2/c1-12-9(4-7-11-12)8-2-5-10-6-3-8;3-2(4,5)1(6)7/h4,7-8,10H,2-3,5-6H2,1H3;(H,6,7)
InChIKeyTWBQPDRVEOWDHT-UHFFFAOYSA-N
XLogP1.52
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.26
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-((1-methyl-1H-pyrazol-5-yl)methyl)piperidine
CID 63961604
3-(1-methyl-1H-pyrazol-5-yl)piperidine
CID 50989017
4-(1-methyl-1H-pyrazol-5-yl)piperidine
CID 50989018
3-(1-methyl-1H-pyrazol-3-yl)piperidine
CID 82414416
4-(1-methyl-1H-pyrazol-3-yl)piperidine
CID 82414451
4-(2-Methylpyrazol-3-yl)piperidine;dihydrochloride
CID 92130993
4-(1-methyl-1H-pyrazol-3-yl)piperidine hydrochloride
CID 165595799
2-(5-(piperidin-4-yl)-1H-pyrazol-1-yl)ethan-1-ol
CID 50990677
3,3,3-trifluoro-1-(3-(1-methyl-1H-pyrazol-3-yl)piperidin-1-yl)propan-1-one
CID 121021048
[4-(2-Methylpyrazol-3-yl)piperidin-1-yl] 2,2,2-trifluoroacetate
CID 69444561
1-N-methyl-3-(2-spiro[4.5]decan-8-ylpyrazol-3-yl)butane-1,3-diamine;2,2,2-trifluoroacetic acid
CID 90460399
2-(2-Methylpyrazol-3-yl)-4-(trifluoromethyl)piperidine
CID 106779084

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpyrazol-3-yl)piperidine;2,2,2-trifluoroacetic acid?
The IUPAC name of 4-(2-methylpyrazol-3-yl)piperidine;2,2,2-trifluoroacetic acid (CID 69444558) is 4-(2-methylpyrazol-3-yl)piperidine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 4-(2-methylpyrazol-3-yl)piperidine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 4-(2-methylpyrazol-3-yl)piperidine;2,2,2-trifluoroacetic acid is Cn1nccc1C1CCNCC1.O=C(O)C(F)(F)F.
What is the InChIKey of 4-(2-methylpyrazol-3-yl)piperidine;2,2,2-trifluoroacetic acid?
The InChIKey is TWBQPDRVEOWDHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3.C2HF3O2/c1-12-9(4-7-11-12)8-2-5-10-6-3-8;3-2(4,5)1(6)7/h4,7-8,10H,2-3,5-6H2,1H3;(H,6,7).
What are the key properties of 4-(2-methylpyrazol-3-yl)piperidine;2,2,2-trifluoroacetic acid?
4-(2-methylpyrazol-3-yl)piperidine;2,2,2-trifluoroacetic acid has a molecular weight of 279.26 g/mol, XLogP of 1.52, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpyrazol-3-yl)piperidine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 69444558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).