4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]-1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidine

C25H26FN5O — CID 42431676

IUPAC4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]-1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidine
SMILESCOc1ccc(-c2[nH]ncc2CN2CCC(c3[nH]ncc3-c3cccc(F)c3)CC2)cc1
InChIInChI=1S/C25H26FN5O/c1-32-22-7-5-17(6-8-22)24-20(14-27-29-24)16-31-11-9-18(10-12-31)25-23(15-28-30-25)19-3-2-4-21(26)13-19/h2-8,13-15,18H,9-12,16H2,1H3,(H,27,29)(H,28,30)
InChIKeyZBLOYQPKAQXKRN-UHFFFAOYSA-N
MW431.52 g/mol
LogP4.99
Rot. Bonds6

About 4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]-1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidine

4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]-1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidine (PubChem CID 42431676) has the molecular formula C25H26FN5O and a molecular weight of 431.52 g/mol. Its IUPAC name is 4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]-1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidine.

Molecular Properties

Compound Name4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]-1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidine
PubChem CID42431676
Molecular FormulaC25H26FN5O
Molecular Weight431.52 g/mol
Exact Mass431.21
IUPAC Name4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]-1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidine
SMILESCOc1ccc(-c2[nH]ncc2CN2CCC(c3[nH]ncc3-c3cccc(F)c3)CC2)cc1
InChIInChI=1S/C25H26FN5O/c1-32-22-7-5-17(6-8-22)24-20(14-27-29-24)16-31-11-9-18(10-12-31)25-23(15-28-30-25)19-3-2-4-21(26)13-19/h2-8,13-15,18H,9-12,16H2,1H3,(H,27,29)(H,28,30)
InChIKeyZBLOYQPKAQXKRN-UHFFFAOYSA-N
XLogP4.99
TPSA69.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.52
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-[(2-fluoro-5-methoxyphenyl)methyl]-3-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidine
CID 28667611
1-benzyl-4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidine
CID 42479344
(3R)-1-[(2,4-dimethoxyphenyl)methyl]-3-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidine
CID 42275447
2-[[(3R)-3-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]-4-methoxyphenol
CID 42482527
1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidine
CID 56750018
2-[1-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperidin-4-yl]-2-methoxyacetic acid
CID 166289525
4-[1-[[5-(6-methoxynaphthalen-2-yl)-1H-pyrazol-4-yl]methyl]piperidin-4-yl]pyridine
CID 25286681
1-[(4-ethoxyphenyl)methyl]-3-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidine
CID 45167805
2-methoxy-6-[[4-[4-(3-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]phenol
CID 42431673
1-(1-bicyclo[1.1.1]pentanyl)-4-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperazine
CID 166300747
(3S)-1-[(2-fluoro-5-methoxyphenyl)methyl]-3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidine
CID 26401758
2-methoxy-6-[[4-[4-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidin-1-yl]methyl]phenol
CID 42165144

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]-1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidine?
The IUPAC name of 4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]-1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidine (CID 42431676) is 4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]-1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidine.
What is the SMILES notation for 4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]-1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidine?
The canonical SMILES for 4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]-1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidine is COc1ccc(-c2[nH]ncc2CN2CCC(c3[nH]ncc3-c3cccc(F)c3)CC2)cc1.
What is the InChIKey of 4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]-1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidine?
The InChIKey is ZBLOYQPKAQXKRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN5O/c1-32-22-7-5-17(6-8-22)24-20(14-27-29-24)16-31-11-9-18(10-12-31)25-23(15-28-30-25)19-3-2-4-21(26)13-19/h2-8,13-15,18H,9-12,16H2,1H3,(H,27,29)(H,28,30).
What are the key properties of 4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]-1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidine?
4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]-1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidine has a molecular weight of 431.52 g/mol, XLogP of 4.99, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]-1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidine is sourced from PubChem (CID 42431676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).