1-(4-chlorophenyl)-4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperazine

C20H20ClFN4 — CID 24865204

IUPAC1-(4-chlorophenyl)-4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperazine
SMILESFc1ccc(-c2[nH]ncc2CN2CCN(c3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C20H20ClFN4/c21-17-3-7-19(8-4-17)26-11-9-25(10-12-26)14-16-13-23-24-20(16)15-1-5-18(22)6-2-15/h1-8,13H,9-12,14H2,(H,23,24)
InChIKeyWLJQCKAPHVDJQH-UHFFFAOYSA-N
MW370.86 g/mol
LogP4.19
Rot. Bonds4

About 1-(4-chlorophenyl)-4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperazine

1-(4-chlorophenyl)-4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperazine (PubChem CID 24865204) has the molecular formula C20H20ClFN4 and a molecular weight of 370.86 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperazine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperazine
PubChem CID24865204
Molecular FormulaC20H20ClFN4
Molecular Weight370.86 g/mol
Exact Mass370.14
IUPAC Name1-(4-chlorophenyl)-4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperazine
SMILESFc1ccc(-c2[nH]ncc2CN2CCN(c3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C20H20ClFN4/c21-17-3-7-19(8-4-17)26-11-9-25(10-12-26)14-16-13-23-24-20(16)15-1-5-18(22)6-2-15/h1-8,13H,9-12,14H2,(H,23,24)
InChIKeyWLJQCKAPHVDJQH-UHFFFAOYSA-N
XLogP4.19
TPSA35.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.86
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chloro-2-fluorophenyl)-4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperazine
CID 24865743
1-(5-chloro-2-pyridinyl)-4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperazine
CID 24864479
1-benzhydryl-4-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]piperazine
CID 3950108
1-(2-ethoxyphenyl)-4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperazine
CID 2812423
4-(4-chlorophenyl)-1-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperidin-4-ol
CID 2812594
1-(5-chloro-2-pyridinyl)-4-[[5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperazine
CID 56713825
6-[4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperazin-1-yl]pyridine-3-carboxamide
CID 24864837
3-(4-chlorophenyl)-5-[[4-(4-fluorophenyl)-1,4-diazepan-1-yl]methyl]-1,2,4-oxadiazole
CID 87015572
1-(5-chloro-2-pyridinyl)-4-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]piperazine
CID 26394276
(4S)-8-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 97210863
1-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-4-(3,5-dimethylpyrazol-1-yl)piperidine
CID 46981268
3-(4-fluorophenyl)-1-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]azetidin-3-ol
CID 126799650

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperazine?
The IUPAC name of 1-(4-chlorophenyl)-4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperazine (CID 24865204) is 1-(4-chlorophenyl)-4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperazine.
What is the SMILES notation for 1-(4-chlorophenyl)-4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperazine?
The canonical SMILES for 1-(4-chlorophenyl)-4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperazine is Fc1ccc(-c2[nH]ncc2CN2CCN(c3ccc(Cl)cc3)CC2)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperazine?
The InChIKey is WLJQCKAPHVDJQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClFN4/c21-17-3-7-19(8-4-17)26-11-9-25(10-12-26)14-16-13-23-24-20(16)15-1-5-18(22)6-2-15/h1-8,13H,9-12,14H2,(H,23,24).
What are the key properties of 1-(4-chlorophenyl)-4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperazine?
1-(4-chlorophenyl)-4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperazine has a molecular weight of 370.86 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperazine is sourced from PubChem (CID 24865204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).