3-[4-(2-fluoropropan-2-yl)pyrazol-1-yl]piperidine

C11H18FN3 — CID 84734594

IUPAC3-[4-(2-fluoropropan-2-yl)pyrazol-1-yl]piperidine
SMILESCC(C)(F)c1cnn(C2CCCNC2)c1
InChIInChI=1S/C11H18FN3/c1-11(2,12)9-6-14-15(8-9)10-4-3-5-13-7-10/h6,8,10,13H,3-5,7H2,1-2H3
InChIKeyHPQAHCMKGMWGQB-UHFFFAOYSA-N
MW211.28 g/mol
LogP2.01
Rot. Bonds2

About 3-[4-(2-fluoropropan-2-yl)pyrazol-1-yl]piperidine

3-[4-(2-fluoropropan-2-yl)pyrazol-1-yl]piperidine (PubChem CID 84734594) has the molecular formula C11H18FN3 and a molecular weight of 211.28 g/mol. Its IUPAC name is 3-[4-(2-fluoropropan-2-yl)pyrazol-1-yl]piperidine.

Molecular Properties

Compound Name3-[4-(2-fluoropropan-2-yl)pyrazol-1-yl]piperidine
PubChem CID84734594
Molecular FormulaC11H18FN3
Molecular Weight211.28 g/mol
Exact Mass211.15
IUPAC Name3-[4-(2-fluoropropan-2-yl)pyrazol-1-yl]piperidine
SMILESCC(C)(F)c1cnn(C2CCCNC2)c1
InChIInChI=1S/C11H18FN3/c1-11(2,12)9-6-14-15(8-9)10-4-3-5-13-7-10/h6,8,10,13H,3-5,7H2,1-2H3
InChIKeyHPQAHCMKGMWGQB-UHFFFAOYSA-N
XLogP2.01
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.28
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-(4-tert-butylpyrazol-1-yl)piperidine
CID 170927501
3-[[4-(2-fluoropropan-2-yl)pyrazol-1-yl]methyl]piperidine
CID 84735734
N,N-dimethyl-1-[(3S)-piperidin-3-yl]pyrazol-4-amine
CID 170247526
3-(4-bromopyrazol-1-yl)piperidine;tert-butyl formate
CID 174626038
4-[(2-methylpropan-2-yl)oxy]-1-pyrrolidin-3-ylpyrazole
CID 117124968
4-tert-butyl-1-(4,4-difluorocyclohexyl)pyrazole
CID 146367376
1-[(4S)-azepan-4-yl]pyrazol-4-amine
CID 171834882
4-[4-(1,1-difluoroethyl)pyrazol-1-yl]-1-propan-2-ylpiperidine
CID 129227656
4-chloro-1-pyrrolidin-3-ylpyrazole
CID 62329636
1-cycloheptyl-4-pyrrolidin-3-ylpyrazole
CID 105493602
4-(4-methylsulfonylpyrazol-1-yl)azepane
CID 165477573
3-[1-(1-methylpyrrolidin-3-yl)pyrazol-4-yl]piperidine
CID 105495229

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-fluoropropan-2-yl)pyrazol-1-yl]piperidine?
The IUPAC name of 3-[4-(2-fluoropropan-2-yl)pyrazol-1-yl]piperidine (CID 84734594) is 3-[4-(2-fluoropropan-2-yl)pyrazol-1-yl]piperidine.
What is the SMILES notation for 3-[4-(2-fluoropropan-2-yl)pyrazol-1-yl]piperidine?
The canonical SMILES for 3-[4-(2-fluoropropan-2-yl)pyrazol-1-yl]piperidine is CC(C)(F)c1cnn(C2CCCNC2)c1.
What is the InChIKey of 3-[4-(2-fluoropropan-2-yl)pyrazol-1-yl]piperidine?
The InChIKey is HPQAHCMKGMWGQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18FN3/c1-11(2,12)9-6-14-15(8-9)10-4-3-5-13-7-10/h6,8,10,13H,3-5,7H2,1-2H3.
What are the key properties of 3-[4-(2-fluoropropan-2-yl)pyrazol-1-yl]piperidine?
3-[4-(2-fluoropropan-2-yl)pyrazol-1-yl]piperidine has a molecular weight of 211.28 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-fluoropropan-2-yl)pyrazol-1-yl]piperidine is sourced from PubChem (CID 84734594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).