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

C21H19F4N3 — CID 45234631

IUPAC1-[(2,4-difluorophenyl)methyl]-3-[4-(2,6-difluorophenyl)-1H-pyrazol-5-yl]piperidine
SMILESFc1ccc(CN2CCCC(c3[nH]ncc3-c3c(F)cccc3F)C2)c(F)c1
InChIInChI=1S/C21H19F4N3/c22-15-7-6-13(19(25)9-15)11-28-8-2-3-14(12-28)21-16(10-26-27-21)20-17(23)4-1-5-18(20)24/h1,4-7,9-10,14H,2-3,8,11-12H2,(H,26,27)
InChIKeyFXHQJZNHNXASDA-UHFFFAOYSA-N
MW389.40 g/mol
LogP5.01
Rot. Bonds4

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

1-[(2,4-difluorophenyl)methyl]-3-[4-(2,6-difluorophenyl)-1H-pyrazol-5-yl]piperidine (PubChem CID 45234631) has the molecular formula C21H19F4N3 and a molecular weight of 389.40 g/mol. Its IUPAC name is 1-[(2,4-difluorophenyl)methyl]-3-[4-(2,6-difluorophenyl)-1H-pyrazol-5-yl]piperidine.

Molecular Properties

Compound Name1-[(2,4-difluorophenyl)methyl]-3-[4-(2,6-difluorophenyl)-1H-pyrazol-5-yl]piperidine
PubChem CID45234631
Molecular FormulaC21H19F4N3
Molecular Weight389.40 g/mol
Exact Mass389.15
IUPAC Name1-[(2,4-difluorophenyl)methyl]-3-[4-(2,6-difluorophenyl)-1H-pyrazol-5-yl]piperidine
SMILESFc1ccc(CN2CCCC(c3[nH]ncc3-c3c(F)cccc3F)C2)c(F)c1
InChIInChI=1S/C21H19F4N3/c22-15-7-6-13(19(25)9-15)11-28-8-2-3-14(12-28)21-16(10-26-27-21)20-17(23)4-1-5-18(20)24/h1,4-7,9-10,14H,2-3,8,11-12H2,(H,26,27)
InChIKeyFXHQJZNHNXASDA-UHFFFAOYSA-N
XLogP5.01
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.40
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[4-(2,6-difluorophenyl)-1H-pyrazol-5-yl]-1-[(2-fluorophenyl)methyl]piperidine
CID 45218502
1-[(2,4-difluorophenyl)methyl]-3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidine
CID 45216943
3-[4-(2,6-difluorophenyl)-1H-pyrazol-5-yl]-1-[(2-fluoro-4-methoxyphenyl)methyl]piperidine
CID 45240609
(3S)-1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-3-[4-(2,6-difluorophenyl)-1H-pyrazol-5-yl]piperidine
CID 28738720
2-[[3-[4-(2,4-difluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]phenol
CID 45168258
1-[(2,4-difluorophenyl)methyl]-3-[4-(2-methylpropyl)-1H-pyrazol-5-yl]piperidine
CID 45223704
(3S)-1-[(2,6-difluorophenyl)methyl]-3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidine
CID 26401706
(3S)-1-[(2-fluoro-4-methoxyphenyl)methyl]-3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidine
CID 42479392
(3R)-3-[4-(2,6-difluorophenyl)-1H-pyrazol-5-yl]-1-[(4-methoxyphenyl)methyl]piperidine
CID 42210375
3-[4-(2,6-difluorophenyl)-1H-pyrazol-5-yl]-1-[(5-ethylfuran-2-yl)methyl]piperidine
CID 45211230
3-[4-(2,6-difluorophenyl)-1H-pyrazol-5-yl]-1-[(4-ethoxyphenyl)methyl]piperidine
CID 45194059
3-[4-(2,5-difluorophenyl)-1H-pyrazol-5-yl]-1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperidine
CID 45171512

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-difluorophenyl)methyl]-3-[4-(2,6-difluorophenyl)-1H-pyrazol-5-yl]piperidine?
The IUPAC name of 1-[(2,4-difluorophenyl)methyl]-3-[4-(2,6-difluorophenyl)-1H-pyrazol-5-yl]piperidine (CID 45234631) is 1-[(2,4-difluorophenyl)methyl]-3-[4-(2,6-difluorophenyl)-1H-pyrazol-5-yl]piperidine.
What is the SMILES notation for 1-[(2,4-difluorophenyl)methyl]-3-[4-(2,6-difluorophenyl)-1H-pyrazol-5-yl]piperidine?
The canonical SMILES for 1-[(2,4-difluorophenyl)methyl]-3-[4-(2,6-difluorophenyl)-1H-pyrazol-5-yl]piperidine is Fc1ccc(CN2CCCC(c3[nH]ncc3-c3c(F)cccc3F)C2)c(F)c1.
What is the InChIKey of 1-[(2,4-difluorophenyl)methyl]-3-[4-(2,6-difluorophenyl)-1H-pyrazol-5-yl]piperidine?
The InChIKey is FXHQJZNHNXASDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F4N3/c22-15-7-6-13(19(25)9-15)11-28-8-2-3-14(12-28)21-16(10-26-27-21)20-17(23)4-1-5-18(20)24/h1,4-7,9-10,14H,2-3,8,11-12H2,(H,26,27).
What are the key properties of 1-[(2,4-difluorophenyl)methyl]-3-[4-(2,6-difluorophenyl)-1H-pyrazol-5-yl]piperidine?
1-[(2,4-difluorophenyl)methyl]-3-[4-(2,6-difluorophenyl)-1H-pyrazol-5-yl]piperidine has a molecular weight of 389.40 g/mol, XLogP of 5.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-difluorophenyl)methyl]-3-[4-(2,6-difluorophenyl)-1H-pyrazol-5-yl]piperidine is sourced from PubChem (CID 45234631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).