4,4-difluoro-1-[[1-(4-propan-2-ylphenyl)pyrazol-4-yl]methyl]piperidine

C18H23F2N3 — CID 77082922

IUPAC4,4-difluoro-1-[[1-(4-propan-2-ylphenyl)pyrazol-4-yl]methyl]piperidine
SMILESCC(C)c1ccc(-n2cc(CN3CCC(F)(F)CC3)cn2)cc1
InChIInChI=1S/C18H23F2N3/c1-14(2)16-3-5-17(6-4-16)23-13-15(11-21-23)12-22-9-7-18(19,20)8-10-22/h3-6,11,13-14H,7-10,12H2,1-2H3
InChIKeyZWIDOZAYPZFMFA-UHFFFAOYSA-N
MW319.40 g/mol
LogP4.23
Rot. Bonds4

About 4,4-difluoro-1-[[1-(4-propan-2-ylphenyl)pyrazol-4-yl]methyl]piperidine

4,4-difluoro-1-[[1-(4-propan-2-ylphenyl)pyrazol-4-yl]methyl]piperidine (PubChem CID 77082922) has the molecular formula C18H23F2N3 and a molecular weight of 319.40 g/mol. Its IUPAC name is 4,4-difluoro-1-[[1-(4-propan-2-ylphenyl)pyrazol-4-yl]methyl]piperidine.

Molecular Properties

Compound Name4,4-difluoro-1-[[1-(4-propan-2-ylphenyl)pyrazol-4-yl]methyl]piperidine
PubChem CID77082922
Molecular FormulaC18H23F2N3
Molecular Weight319.40 g/mol
Exact Mass319.19
IUPAC Name4,4-difluoro-1-[[1-(4-propan-2-ylphenyl)pyrazol-4-yl]methyl]piperidine
SMILESCC(C)c1ccc(-n2cc(CN3CCC(F)(F)CC3)cn2)cc1
InChIInChI=1S/C18H23F2N3/c1-14(2)16-3-5-17(6-4-16)23-13-15(11-21-23)12-22-9-7-18(19,20)8-10-22/h3-6,11,13-14H,7-10,12H2,1-2H3
InChIKeyZWIDOZAYPZFMFA-UHFFFAOYSA-N
XLogP4.23
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(azetidin-1-ylmethyl)-1-(4-propan-2-ylphenyl)pyrazole
CID 77090296
[(3S)-1-[[1-(4-propan-2-ylphenyl)pyrazol-4-yl]methyl]pyrrolidin-3-yl]methanamine
CID 95223952
(3R,4R)-4-(4-methylpiperazin-1-yl)-1-[[1-(4-propan-2-ylphenyl)pyrazol-4-yl]methyl]pyrrolidin-3-ol
CID 133117300
(3R,4S)-4-hydroxy-1-[[1-(4-propan-2-ylphenyl)pyrazol-4-yl]methyl]-3-propylpiperidine-3-carboxylic acid
CID 163308872
1-methyl-4-[[1-(4-phenylphenyl)pyrazol-4-yl]methyl]piperazine
CID 126605115
(4S,5S)-9-[(1-phenylpyrazol-4-yl)methyl]-1-oxa-9-azaspiro[5.5]undecane-4,5-diol
CID 164698709
1-[(4-chlorophenyl)methyl]-4,4-difluoropiperidine
CID 165493052
(4R)-1-[[1-(4-butylphenyl)pyrazol-4-yl]methyl]-4-(hydroxymethyl)azepan-4-ol
CID 95713969
(4-fluorophenyl)-[1-[(1-phenylpyrazol-4-yl)methyl]piperidin-4-yl]methanol
CID 110170343
5-[(4,4-difluoropiperidin-1-yl)methyl]-2-methylpyridine
CID 143579558
2-[4-[[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methyl]piperazin-1-yl]ethanol
CID 135659014
2-[[1-(4-bromophenyl)pyrazol-4-yl]methyl]-2,7-diazaspiro[4.4]nonane
CID 120908419

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-1-[[1-(4-propan-2-ylphenyl)pyrazol-4-yl]methyl]piperidine?
The IUPAC name of 4,4-difluoro-1-[[1-(4-propan-2-ylphenyl)pyrazol-4-yl]methyl]piperidine (CID 77082922) is 4,4-difluoro-1-[[1-(4-propan-2-ylphenyl)pyrazol-4-yl]methyl]piperidine.
What is the SMILES notation for 4,4-difluoro-1-[[1-(4-propan-2-ylphenyl)pyrazol-4-yl]methyl]piperidine?
The canonical SMILES for 4,4-difluoro-1-[[1-(4-propan-2-ylphenyl)pyrazol-4-yl]methyl]piperidine is CC(C)c1ccc(-n2cc(CN3CCC(F)(F)CC3)cn2)cc1.
What is the InChIKey of 4,4-difluoro-1-[[1-(4-propan-2-ylphenyl)pyrazol-4-yl]methyl]piperidine?
The InChIKey is ZWIDOZAYPZFMFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F2N3/c1-14(2)16-3-5-17(6-4-16)23-13-15(11-21-23)12-22-9-7-18(19,20)8-10-22/h3-6,11,13-14H,7-10,12H2,1-2H3.
What are the key properties of 4,4-difluoro-1-[[1-(4-propan-2-ylphenyl)pyrazol-4-yl]methyl]piperidine?
4,4-difluoro-1-[[1-(4-propan-2-ylphenyl)pyrazol-4-yl]methyl]piperidine has a molecular weight of 319.40 g/mol, XLogP of 4.23, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-1-[[1-(4-propan-2-ylphenyl)pyrazol-4-yl]methyl]piperidine is sourced from PubChem (CID 77082922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).