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

C12H20FN3 — CID 84735734

IUPAC3-[[4-(2-fluoropropan-2-yl)pyrazol-1-yl]methyl]piperidine
SMILESCC(C)(F)c1cnn(CC2CCCNC2)c1
InChIInChI=1S/C12H20FN3/c1-12(2,13)11-7-15-16(9-11)8-10-4-3-5-14-6-10/h7,9-10,14H,3-6,8H2,1-2H3
InChIKeyUCESEYNZOMPBET-UHFFFAOYSA-N
MW225.31 g/mol
LogP2.09
Rot. Bonds3

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

3-[[4-(2-fluoropropan-2-yl)pyrazol-1-yl]methyl]piperidine (PubChem CID 84735734) has the molecular formula C12H20FN3 and a molecular weight of 225.31 g/mol. Its IUPAC name is 3-[[4-(2-fluoropropan-2-yl)pyrazol-1-yl]methyl]piperidine.

Molecular Properties

Compound Name3-[[4-(2-fluoropropan-2-yl)pyrazol-1-yl]methyl]piperidine
PubChem CID84735734
Molecular FormulaC12H20FN3
Molecular Weight225.31 g/mol
Exact Mass225.16
IUPAC Name3-[[4-(2-fluoropropan-2-yl)pyrazol-1-yl]methyl]piperidine
SMILESCC(C)(F)c1cnn(CC2CCCNC2)c1
InChIInChI=1S/C12H20FN3/c1-12(2,13)11-7-15-16(9-11)8-10-4-3-5-14-6-10/h7,9-10,14H,3-6,8H2,1-2H3
InChIKeyUCESEYNZOMPBET-UHFFFAOYSA-N
XLogP2.09
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1,1-difluoroethyl)-1-(pyrrolidin-3-ylmethyl)pyrazole
CID 84734901
3-[[4-(difluoromethyl)pyrazol-1-yl]methyl]piperidine
CID 84734904
(3S)-3-[(4-iodopyrazol-1-yl)methyl]piperidine
CID 129369974
(3S)-3-[(4-methoxypyrazol-1-yl)methyl]piperidine
CID 165430584
3-[4-(2-fluoropropan-2-yl)pyrazol-1-yl]piperidine
CID 84734594
4-bromo-1-[[(3S)-pyrrolidin-3-yl]methyl]pyrazole
CID 94408772
3-[[4-(furan-3-yl)pyrazol-1-yl]methyl]piperidine
CID 121214022
4-bromo-1-[[(3S)-pyrrolidin-3-yl]methyl]pyrazole;hydrochloride
CID 165429520
4-iodo-1-[[(3S)-pyrrolidin-3-yl]methyl]pyrazole
CID 165429519
1-(pyrrolidin-3-ylmethyl)-4-[4-(trifluoromethyl)phenoxy]pyrazole
CID 117125078
1-(cyclopropylmethyl)-4-(2-methylbutan-2-yl)pyrazole
CID 155261599
(3R)-3-(4-tert-butylpyrazol-1-yl)piperidine
CID 170927501

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(2-fluoropropan-2-yl)pyrazol-1-yl]methyl]piperidine?
The IUPAC name of 3-[[4-(2-fluoropropan-2-yl)pyrazol-1-yl]methyl]piperidine (CID 84735734) is 3-[[4-(2-fluoropropan-2-yl)pyrazol-1-yl]methyl]piperidine.
What is the SMILES notation for 3-[[4-(2-fluoropropan-2-yl)pyrazol-1-yl]methyl]piperidine?
The canonical SMILES for 3-[[4-(2-fluoropropan-2-yl)pyrazol-1-yl]methyl]piperidine is CC(C)(F)c1cnn(CC2CCCNC2)c1.
What is the InChIKey of 3-[[4-(2-fluoropropan-2-yl)pyrazol-1-yl]methyl]piperidine?
The InChIKey is UCESEYNZOMPBET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20FN3/c1-12(2,13)11-7-15-16(9-11)8-10-4-3-5-14-6-10/h7,9-10,14H,3-6,8H2,1-2H3.
What are the key properties of 3-[[4-(2-fluoropropan-2-yl)pyrazol-1-yl]methyl]piperidine?
3-[[4-(2-fluoropropan-2-yl)pyrazol-1-yl]methyl]piperidine has a molecular weight of 225.31 g/mol, XLogP of 2.09, 3 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]methyl]piperidine is sourced from PubChem (CID 84735734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).