1-[5-(3-chloro-4-fluorophenyl)-1H-pyrazol-3-yl]-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine

C19H16ClF4N5 — CID 142990814

IUPAC1-[5-(3-chloro-4-fluorophenyl)-1H-pyrazol-3-yl]-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine
SMILESFc1ccc(-c2cc(N3CCN(c4ncccc4C(F)(F)F)CC3)n[nH]2)cc1Cl
InChIInChI=1S/C19H16ClF4N5/c20-14-10-12(3-4-15(14)21)16-11-17(27-26-16)28-6-8-29(9-7-28)18-13(19(22,23)24)2-1-5-25-18/h1-5,10-11H,6-9H2,(H,26,27)
InChIKeyMVFBMXOBIATQGK-UHFFFAOYSA-N
MW425.82 g/mol
LogP4.61
Rot. Bonds3

About 1-[5-(3-chloro-4-fluorophenyl)-1H-pyrazol-3-yl]-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine

1-[5-(3-chloro-4-fluorophenyl)-1H-pyrazol-3-yl]-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine (PubChem CID 142990814) has the molecular formula C19H16ClF4N5 and a molecular weight of 425.82 g/mol. Its IUPAC name is 1-[5-(3-chloro-4-fluorophenyl)-1H-pyrazol-3-yl]-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine.

Molecular Properties

Compound Name1-[5-(3-chloro-4-fluorophenyl)-1H-pyrazol-3-yl]-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine
PubChem CID142990814
Molecular FormulaC19H16ClF4N5
Molecular Weight425.82 g/mol
Exact Mass425.10
IUPAC Name1-[5-(3-chloro-4-fluorophenyl)-1H-pyrazol-3-yl]-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine
SMILESFc1ccc(-c2cc(N3CCN(c4ncccc4C(F)(F)F)CC3)n[nH]2)cc1Cl
InChIInChI=1S/C19H16ClF4N5/c20-14-10-12(3-4-15(14)21)16-11-17(27-26-16)28-6-8-29(9-7-28)18-13(19(22,23)24)2-1-5-25-18/h1-5,10-11H,6-9H2,(H,26,27)
InChIKeyMVFBMXOBIATQGK-UHFFFAOYSA-N
XLogP4.61
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.82
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-chloro-4-fluorophenyl)-N-cycloheptyl-6-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidin-2-amine
CID 142990583
N-chloro-4-(3-chloro-4-fluorophenyl)-N-cyclohexyl-6-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidin-2-amine
CID 142990991
1-[5-(3-chloro-4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-4-amine
CID 114697676
4-(3-chloro-4-fluorophenyl)-2-(2-methylazetidin-1-yl)-6-[2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidine
CID 142990886
1-[4-(3-chloro-4-fluorophenyl)-6-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidin-2-yl]-N,N-diethylazepan-4-amine
CID 142990834
4-[4-[5-(3-chloro-4-fluorophenyl)-1H-pyrazol-3-yl]-3-methylpiperazin-1-yl]-5-(trifluoromethyl)-1,3-thiazole
CID 143266014
1-[6-(3,4-difluorophenyl)-2-pyrrolidin-1-ylpyrimidin-4-yl]-4-[3-(trifluoromethyl)-2-pyridinyl]-1,4-diazepane
CID 142991038
1-[(5-chloro-2-pyridinyl)methyl]-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine
CID 133465598
2-fluoro-5-[2-pyridin-4-yl-6-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidin-4-yl]aniline
CID 89380350
N-[4-(3,4-difluorophenyl)-6-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidin-2-yl]-N-[2-(dimethylamino)ethyl]hydroxylamine
CID 89374044
8-[4-(3-chloro-4-fluorophenyl)-1-methyl-6-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-2H-pyrimidin-2-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 142990639
2-(4-chloropiperidin-1-yl)-3-(trifluoromethyl)pyridine
CID 63388486

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-chloro-4-fluorophenyl)-1H-pyrazol-3-yl]-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine?
The IUPAC name of 1-[5-(3-chloro-4-fluorophenyl)-1H-pyrazol-3-yl]-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine (CID 142990814) is 1-[5-(3-chloro-4-fluorophenyl)-1H-pyrazol-3-yl]-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine.
What is the SMILES notation for 1-[5-(3-chloro-4-fluorophenyl)-1H-pyrazol-3-yl]-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine?
The canonical SMILES for 1-[5-(3-chloro-4-fluorophenyl)-1H-pyrazol-3-yl]-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine is Fc1ccc(-c2cc(N3CCN(c4ncccc4C(F)(F)F)CC3)n[nH]2)cc1Cl.
What is the InChIKey of 1-[5-(3-chloro-4-fluorophenyl)-1H-pyrazol-3-yl]-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine?
The InChIKey is MVFBMXOBIATQGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClF4N5/c20-14-10-12(3-4-15(14)21)16-11-17(27-26-16)28-6-8-29(9-7-28)18-13(19(22,23)24)2-1-5-25-18/h1-5,10-11H,6-9H2,(H,26,27).
What are the key properties of 1-[5-(3-chloro-4-fluorophenyl)-1H-pyrazol-3-yl]-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine?
1-[5-(3-chloro-4-fluorophenyl)-1H-pyrazol-3-yl]-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine has a molecular weight of 425.82 g/mol, XLogP of 4.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-chloro-4-fluorophenyl)-1H-pyrazol-3-yl]-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine is sourced from PubChem (CID 142990814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).