1-(5-chloro-2-pyridinyl)-4-[[5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperazine

C20H21ClFN5O — CID 56713825

IUPAC1-(5-chloro-2-pyridinyl)-4-[[5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperazine
SMILESCOc1ccc(-c2[nH]ncc2CN2CCN(c3ccc(Cl)cn3)CC2)cc1F
InChIInChI=1S/C20H21ClFN5O/c1-28-18-4-2-14(10-17(18)22)20-15(11-24-25-20)13-26-6-8-27(9-7-26)19-5-3-16(21)12-23-19/h2-5,10-12H,6-9,13H2,1H3,(H,24,25)
InChIKeyAJKCEZWBQMAQNA-UHFFFAOYSA-N
MW401.87 g/mol
LogP3.60
Rot. Bonds5

About 1-(5-chloro-2-pyridinyl)-4-[[5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperazine

1-(5-chloro-2-pyridinyl)-4-[[5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperazine (PubChem CID 56713825) has the molecular formula C20H21ClFN5O and a molecular weight of 401.87 g/mol. Its IUPAC name is 1-(5-chloro-2-pyridinyl)-4-[[5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperazine.

Molecular Properties

Compound Name1-(5-chloro-2-pyridinyl)-4-[[5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperazine
PubChem CID56713825
Molecular FormulaC20H21ClFN5O
Molecular Weight401.87 g/mol
Exact Mass401.14
IUPAC Name1-(5-chloro-2-pyridinyl)-4-[[5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperazine
SMILESCOc1ccc(-c2[nH]ncc2CN2CCN(c3ccc(Cl)cn3)CC2)cc1F
InChIInChI=1S/C20H21ClFN5O/c1-28-18-4-2-14(10-17(18)22)20-15(11-24-25-20)13-26-6-8-27(9-7-26)19-5-3-16(21)12-23-19/h2-5,10-12H,6-9,13H2,1H3,(H,24,25)
InChIKeyAJKCEZWBQMAQNA-UHFFFAOYSA-N
XLogP3.60
TPSA57.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.87
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-chloro-2-pyridinyl)-4-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]piperazine
CID 26394276
1-(5-chloro-2-pyridinyl)-4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperazine
CID 24864479
1-(4-chlorophenyl)-4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperazine
CID 24865204
1-(4-chloro-2-fluorophenyl)-4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperazine
CID 24865743
6-[4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperazin-1-yl]pyridine-3-carboxamide
CID 24864837
[(2R)-1-[[5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidin-2-yl]methanol
CID 42528358
5-[[5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-10-methoxy-2,3,4,6-tetrahydro-1,5-benzoxazocine
CID 56743322
[4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl]-[1-(5-chloro-2-pyridinyl)piperidin-4-yl]methanone
CID 55687589
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
6-[[5-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]-2-methylsulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24911888
4-[4-[2-[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]ethyl]-1H-pyrazol-5-yl]phenol;dihydrochloride
CID 139743727

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-pyridinyl)-4-[[5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperazine?
The IUPAC name of 1-(5-chloro-2-pyridinyl)-4-[[5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperazine (CID 56713825) is 1-(5-chloro-2-pyridinyl)-4-[[5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperazine.
What is the SMILES notation for 1-(5-chloro-2-pyridinyl)-4-[[5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperazine?
The canonical SMILES for 1-(5-chloro-2-pyridinyl)-4-[[5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperazine is COc1ccc(-c2[nH]ncc2CN2CCN(c3ccc(Cl)cn3)CC2)cc1F.
What is the InChIKey of 1-(5-chloro-2-pyridinyl)-4-[[5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperazine?
The InChIKey is AJKCEZWBQMAQNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClFN5O/c1-28-18-4-2-14(10-17(18)22)20-15(11-24-25-20)13-26-6-8-27(9-7-26)19-5-3-16(21)12-23-19/h2-5,10-12H,6-9,13H2,1H3,(H,24,25).
What are the key properties of 1-(5-chloro-2-pyridinyl)-4-[[5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperazine?
1-(5-chloro-2-pyridinyl)-4-[[5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperazine has a molecular weight of 401.87 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-pyridinyl)-4-[[5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperazine is sourced from PubChem (CID 56713825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).