4-(4-methylpyrazol-1-yl)piperidine;2,2,2-trifluoroacetic acid

C11H16F3N3O2 — CID 175876954

IUPAC4-(4-methylpyrazol-1-yl)piperidine;2,2,2-trifluoroacetic acid
SMILESCc1cnn(C2CCNCC2)c1.O=C(O)C(F)(F)F
InChIInChI=1S/C9H15N3.C2HF3O2/c1-8-6-11-12(7-8)9-2-4-10-5-3-9;3-2(4,5)1(6)7/h6-7,9-10H,2-5H2,1H3;(H,6,7)
InChIKeyXKEYQUWPVSMLJJ-UHFFFAOYSA-N
MW279.26 g/mol
LogP1.75
Rot. Bonds1

About 4-(4-methylpyrazol-1-yl)piperidine;2,2,2-trifluoroacetic acid

4-(4-methylpyrazol-1-yl)piperidine;2,2,2-trifluoroacetic acid (PubChem CID 175876954) has the molecular formula C11H16F3N3O2 and a molecular weight of 279.26 g/mol. Its IUPAC name is 4-(4-methylpyrazol-1-yl)piperidine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name4-(4-methylpyrazol-1-yl)piperidine;2,2,2-trifluoroacetic acid
PubChem CID175876954
Molecular FormulaC11H16F3N3O2
Molecular Weight279.26 g/mol
Exact Mass279.12
IUPAC Name4-(4-methylpyrazol-1-yl)piperidine;2,2,2-trifluoroacetic acid
SMILESCc1cnn(C2CCNCC2)c1.O=C(O)C(F)(F)F
InChIInChI=1S/C9H15N3.C2HF3O2/c1-8-6-11-12(7-8)9-2-4-10-5-3-9;3-2(4,5)1(6)7/h6-7,9-10H,2-5H2,1H3;(H,6,7)
InChIKeyXKEYQUWPVSMLJJ-UHFFFAOYSA-N
XLogP1.75
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 ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-(trifluoromethyl)-1H-pyrazol-1-yl)piperidine hydrochloride
CID 86775176
Piperidine, 4-[4-(trifluoromethyl)-1H-pyrazol-1-yl]-
CID 64177910
3-Fluoro-4-(4-methylpyrazol-1-yl)piperidine
CID 68209513
4-[4-(Trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxylic acid
CID 130366471
1-[4-(2,2-Difluoropropylamino)piperidin-1-yl]-2-(4-methylpyrazol-1-yl)ethanone
CID 145332322
4-[2-(1-Methylpyrazol-4-yl)pyrrolidin-1-yl]piperidine;2,2,2-trifluoroacetic acid
CID 146279203
1-(3,3-Difluoropiperidin-4-yl)pyrazole-4-carboxylic acid;hydrochloride
CID 155194705
N-(1-methylpyrazol-4-yl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine;2,2,2-trifluoroacetic acid
CID 155225014
1-methyl-N-(1-propan-2-ylpyrazol-4-yl)piperidin-3-amine;2,2,2-trifluoroacetic acid
CID 155225015
N-(1-methylpyrazol-4-yl)piperidin-4-amine;2,2,2-trifluoroacetic acid
CID 155225030
N-(1-cyclobutylpyrazol-4-yl)-1-methylpiperidin-4-amine;2,2,2-trifluoroacetic acid
CID 155225169
2-[4-[(1-Methylpiperidin-4-yl)amino]pyrazol-1-yl]acetonitrile;2,2,2-trifluoroacetic acid
CID 155225209

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpyrazol-1-yl)piperidine;2,2,2-trifluoroacetic acid?
The IUPAC name of 4-(4-methylpyrazol-1-yl)piperidine;2,2,2-trifluoroacetic acid (CID 175876954) is 4-(4-methylpyrazol-1-yl)piperidine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 4-(4-methylpyrazol-1-yl)piperidine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 4-(4-methylpyrazol-1-yl)piperidine;2,2,2-trifluoroacetic acid is Cc1cnn(C2CCNCC2)c1.O=C(O)C(F)(F)F.
What is the InChIKey of 4-(4-methylpyrazol-1-yl)piperidine;2,2,2-trifluoroacetic acid?
The InChIKey is XKEYQUWPVSMLJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3.C2HF3O2/c1-8-6-11-12(7-8)9-2-4-10-5-3-9;3-2(4,5)1(6)7/h6-7,9-10H,2-5H2,1H3;(H,6,7).
What are the key properties of 4-(4-methylpyrazol-1-yl)piperidine;2,2,2-trifluoroacetic acid?
4-(4-methylpyrazol-1-yl)piperidine;2,2,2-trifluoroacetic acid has a molecular weight of 279.26 g/mol, XLogP of 1.75, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpyrazol-1-yl)piperidine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 175876954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).