1-(5-chloro-2-pyridinyl)-4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperazine

C19H19ClFN5 — CID 24864479

IUPAC1-(5-chloro-2-pyridinyl)-4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperazine
SMILESFc1ccc(-c2[nH]ncc2CN2CCN(c3ccc(Cl)cn3)CC2)cc1
InChIInChI=1S/C19H19ClFN5/c20-16-3-6-18(22-12-16)26-9-7-25(8-10-26)13-15-11-23-24-19(15)14-1-4-17(21)5-2-14/h1-6,11-12H,7-10,13H2,(H,23,24)
InChIKeyYCDYBVDUCCEKTE-UHFFFAOYSA-N
MW371.85 g/mol
LogP3.59
Rot. Bonds4

About 1-(5-chloro-2-pyridinyl)-4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperazine

1-(5-chloro-2-pyridinyl)-4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperazine (PubChem CID 24864479) has the molecular formula C19H19ClFN5 and a molecular weight of 371.85 g/mol. Its IUPAC name is 1-(5-chloro-2-pyridinyl)-4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperazine.

Molecular Properties

Compound Name1-(5-chloro-2-pyridinyl)-4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperazine
PubChem CID24864479
Molecular FormulaC19H19ClFN5
Molecular Weight371.85 g/mol
Exact Mass371.13
IUPAC Name1-(5-chloro-2-pyridinyl)-4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperazine
SMILESFc1ccc(-c2[nH]ncc2CN2CCN(c3ccc(Cl)cn3)CC2)cc1
InChIInChI=1S/C19H19ClFN5/c20-16-3-6-18(22-12-16)26-9-7-25(8-10-26)13-15-11-23-24-19(15)14-1-4-17(21)5-2-14/h1-6,11-12H,7-10,13H2,(H,23,24)
InChIKeyYCDYBVDUCCEKTE-UHFFFAOYSA-N
XLogP3.59
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.85
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-chloro-2-pyridinyl)-4-[[5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperazine
CID 56713825
1-(5-chloro-2-pyridinyl)-4-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]piperazine
CID 26394276
1-(4-chlorophenyl)-4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperazine
CID 24865204
6-[4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperazin-1-yl]pyridine-3-carboxamide
CID 24864837
1-(4-chloro-2-fluorophenyl)-4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperazine
CID 24865743
1-(2-ethoxyphenyl)-4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperazine
CID 2812423
1-(5-fluoro-2-pyridinyl)-4-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-2-methylpiperazine
CID 146044844
1-benzhydryl-4-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]piperazine
CID 3950108
3-[[4-(5-chloro-2-pyridinyl)piperazin-1-yl]methyl]-1H-pyrrolo[2,3-b]pyridine
CID 19958504
4-(4-chlorophenyl)-1-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperidin-4-ol
CID 2812594
1-(5-chloro-2-pyridinyl)-4-(2,4-difluorophenyl)piperazine
CID 163356497
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-(5-chloro-2-pyridinyl)-4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperazine?
The IUPAC name of 1-(5-chloro-2-pyridinyl)-4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperazine (CID 24864479) is 1-(5-chloro-2-pyridinyl)-4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperazine.
What is the SMILES notation for 1-(5-chloro-2-pyridinyl)-4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperazine?
The canonical SMILES for 1-(5-chloro-2-pyridinyl)-4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperazine is Fc1ccc(-c2[nH]ncc2CN2CCN(c3ccc(Cl)cn3)CC2)cc1.
What is the InChIKey of 1-(5-chloro-2-pyridinyl)-4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperazine?
The InChIKey is YCDYBVDUCCEKTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClFN5/c20-16-3-6-18(22-12-16)26-9-7-25(8-10-26)13-15-11-23-24-19(15)14-1-4-17(21)5-2-14/h1-6,11-12H,7-10,13H2,(H,23,24).
What are the key properties of 1-(5-chloro-2-pyridinyl)-4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperazine?
1-(5-chloro-2-pyridinyl)-4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperazine has a molecular weight of 371.85 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-pyridinyl)-4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperazine is sourced from PubChem (CID 24864479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).