3-[4-(2,6-difluorophenyl)-1H-pyrazol-5-yl]-1-[(5-ethylfuran-2-yl)methyl]piperidine

C21H23F2N3O — CID 45211230

IUPAC3-[4-(2,6-difluorophenyl)-1H-pyrazol-5-yl]-1-[(5-ethylfuran-2-yl)methyl]piperidine
SMILESCCc1ccc(CN2CCCC(c3[nH]ncc3-c3c(F)cccc3F)C2)o1
InChIInChI=1S/C21H23F2N3O/c1-2-15-8-9-16(27-15)13-26-10-4-5-14(12-26)21-17(11-24-25-21)20-18(22)6-3-7-19(20)23/h3,6-9,11,14H,2,4-5,10,12-13H2,1H3,(H,24,25)
InChIKeyHCIFUPJZSKNYMQ-UHFFFAOYSA-N
MW371.43 g/mol
LogP4.89
Rot. Bonds5

About 3-[4-(2,6-difluorophenyl)-1H-pyrazol-5-yl]-1-[(5-ethylfuran-2-yl)methyl]piperidine

3-[4-(2,6-difluorophenyl)-1H-pyrazol-5-yl]-1-[(5-ethylfuran-2-yl)methyl]piperidine (PubChem CID 45211230) has the molecular formula C21H23F2N3O and a molecular weight of 371.43 g/mol. Its IUPAC name is 3-[4-(2,6-difluorophenyl)-1H-pyrazol-5-yl]-1-[(5-ethylfuran-2-yl)methyl]piperidine.

Molecular Properties

Compound Name3-[4-(2,6-difluorophenyl)-1H-pyrazol-5-yl]-1-[(5-ethylfuran-2-yl)methyl]piperidine
PubChem CID45211230
Molecular FormulaC21H23F2N3O
Molecular Weight371.43 g/mol
Exact Mass371.18
IUPAC Name3-[4-(2,6-difluorophenyl)-1H-pyrazol-5-yl]-1-[(5-ethylfuran-2-yl)methyl]piperidine
SMILESCCc1ccc(CN2CCCC(c3[nH]ncc3-c3c(F)cccc3F)C2)o1
InChIInChI=1S/C21H23F2N3O/c1-2-15-8-9-16(27-15)13-26-10-4-5-14(12-26)21-17(11-24-25-21)20-18(22)6-3-7-19(20)23/h3,6-9,11,14H,2,4-5,10,12-13H2,1H3,(H,24,25)
InChIKeyHCIFUPJZSKNYMQ-UHFFFAOYSA-N
XLogP4.89
TPSA45.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.43
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(2,6-difluorophenyl)-1H-pyrazol-5-yl]-1-[(2-fluorophenyl)methyl]piperidine
CID 45218502
3-[4-(2,6-difluorophenyl)-1H-pyrazol-5-yl]-1-[(4-ethoxyphenyl)methyl]piperidine
CID 45194059
(3R)-3-[4-(2,6-difluorophenyl)-1H-pyrazol-5-yl]-1-[(4-methoxyphenyl)methyl]piperidine
CID 42210375
1-[(2,4-difluorophenyl)methyl]-3-[4-(2,6-difluorophenyl)-1H-pyrazol-5-yl]piperidine
CID 45234631
(3S)-1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-3-[4-(2,6-difluorophenyl)-1H-pyrazol-5-yl]piperidine
CID 28738720
3-[4-(2,6-difluorophenyl)-1H-pyrazol-5-yl]-1-[(2-fluoro-4-methoxyphenyl)methyl]piperidine
CID 45240609
(3S)-1-[(5-methylfuran-2-yl)methyl]-3-[4-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidine
CID 42431199
(3S)-1-[(2,6-difluorophenyl)methyl]-3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidine
CID 26401706
(3S)-3-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]-1-[[5-(methoxymethyl)furan-2-yl]methyl]piperidine
CID 31125403
(3S)-1-[[5-(methoxymethyl)furan-2-yl]methyl]-3-[4-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidine
CID 42482466
(3S)-3-[4-(3,4-difluorophenyl)-1H-pyrazol-5-yl]-1-[(4-methylphenyl)methyl]piperidine
CID 42479334
1-[(2,6-difluorophenyl)methyl]-3-[4-(2-methylpropyl)-1H-pyrazol-5-yl]piperidine
CID 45219683

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2,6-difluorophenyl)-1H-pyrazol-5-yl]-1-[(5-ethylfuran-2-yl)methyl]piperidine?
The IUPAC name of 3-[4-(2,6-difluorophenyl)-1H-pyrazol-5-yl]-1-[(5-ethylfuran-2-yl)methyl]piperidine (CID 45211230) is 3-[4-(2,6-difluorophenyl)-1H-pyrazol-5-yl]-1-[(5-ethylfuran-2-yl)methyl]piperidine.
What is the SMILES notation for 3-[4-(2,6-difluorophenyl)-1H-pyrazol-5-yl]-1-[(5-ethylfuran-2-yl)methyl]piperidine?
The canonical SMILES for 3-[4-(2,6-difluorophenyl)-1H-pyrazol-5-yl]-1-[(5-ethylfuran-2-yl)methyl]piperidine is CCc1ccc(CN2CCCC(c3[nH]ncc3-c3c(F)cccc3F)C2)o1.
What is the InChIKey of 3-[4-(2,6-difluorophenyl)-1H-pyrazol-5-yl]-1-[(5-ethylfuran-2-yl)methyl]piperidine?
The InChIKey is HCIFUPJZSKNYMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F2N3O/c1-2-15-8-9-16(27-15)13-26-10-4-5-14(12-26)21-17(11-24-25-21)20-18(22)6-3-7-19(20)23/h3,6-9,11,14H,2,4-5,10,12-13H2,1H3,(H,24,25).
What are the key properties of 3-[4-(2,6-difluorophenyl)-1H-pyrazol-5-yl]-1-[(5-ethylfuran-2-yl)methyl]piperidine?
3-[4-(2,6-difluorophenyl)-1H-pyrazol-5-yl]-1-[(5-ethylfuran-2-yl)methyl]piperidine has a molecular weight of 371.43 g/mol, XLogP of 4.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2,6-difluorophenyl)-1H-pyrazol-5-yl]-1-[(5-ethylfuran-2-yl)methyl]piperidine is sourced from PubChem (CID 45211230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).