1-[3-fluoro-4-[4-[1-(3-fluorophenyl)pyrazole-3-carbonyl]piperazin-1-yl]phenyl]ethanone

C22H20F2N4O2 — CID 47850211

IUPAC1-[3-fluoro-4-[4-[1-(3-fluorophenyl)pyrazole-3-carbonyl]piperazin-1-yl]phenyl]ethanone
SMILESCC(=O)c1ccc(N2CCN(C(=O)c3ccn(-c4cccc(F)c4)n3)CC2)c(F)c1
InChIInChI=1S/C22H20F2N4O2/c1-15(29)16-5-6-21(19(24)13-16)26-9-11-27(12-10-26)22(30)20-7-8-28(25-20)18-4-2-3-17(23)14-18/h2-8,13-14H,9-12H2,1H3
InChIKeyQDIUQBNUGJKIKV-UHFFFAOYSA-N
MW410.42 g/mol
LogP3.32
Rot. Bonds4

About 1-[3-fluoro-4-[4-[1-(3-fluorophenyl)pyrazole-3-carbonyl]piperazin-1-yl]phenyl]ethanone

1-[3-fluoro-4-[4-[1-(3-fluorophenyl)pyrazole-3-carbonyl]piperazin-1-yl]phenyl]ethanone (PubChem CID 47850211) has the molecular formula C22H20F2N4O2 and a molecular weight of 410.42 g/mol. Its IUPAC name is 1-[3-fluoro-4-[4-[1-(3-fluorophenyl)pyrazole-3-carbonyl]piperazin-1-yl]phenyl]ethanone.

Molecular Properties

Compound Name1-[3-fluoro-4-[4-[1-(3-fluorophenyl)pyrazole-3-carbonyl]piperazin-1-yl]phenyl]ethanone
PubChem CID47850211
Molecular FormulaC22H20F2N4O2
Molecular Weight410.42 g/mol
Exact Mass410.16
IUPAC Name1-[3-fluoro-4-[4-[1-(3-fluorophenyl)pyrazole-3-carbonyl]piperazin-1-yl]phenyl]ethanone
SMILESCC(=O)c1ccc(N2CCN(C(=O)c3ccn(-c4cccc(F)c4)n3)CC2)c(F)c1
InChIInChI=1S/C22H20F2N4O2/c1-15(29)16-5-6-21(19(24)13-16)26-9-11-27(12-10-26)22(30)20-7-8-28(25-20)18-4-2-3-17(23)14-18/h2-8,13-14H,9-12H2,1H3
InChIKeyQDIUQBNUGJKIKV-UHFFFAOYSA-N
XLogP3.32
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.42
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-fluoro-4-[4-[1-(2-fluorophenyl)pyrazole-3-carbonyl]piperazin-1-yl]phenyl]ethanone
CID 55649494
(4-benzylpiperazin-1-yl)-[1-(3-fluorophenyl)pyrazol-3-yl]methanone
CID 47844771
[4-(cyclopropylmethyl)piperazin-1-yl]-[1-(3-fluorophenyl)pyrazol-3-yl]methanone
CID 47076704
1-[3-fluoro-4-[4-(3-methylbenzoyl)piperazin-1-yl]phenyl]ethanone
CID 18098126
1-[4-[4-(3-aminobenzoyl)piperazin-1-yl]-3-fluorophenyl]ethanone;dihydrochloride
CID 119836988
N-cyclohexyl-4-[1-(3-fluorophenyl)pyrazole-3-carbonyl]piperazine-1-carboxamide
CID 47924929
1-[3-fluoro-4-[4-(2-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperazin-1-yl]phenyl]ethanone
CID 87045018
[1-(3-chlorophenyl)pyrazol-3-yl]-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone
CID 55930139
[1-(3-fluorophenyl)pyrazol-3-yl]-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 110023506
1-[4-[4-(1,5-dimethylpyrrole-2-carbonyl)piperazin-1-yl]-3-fluorophenyl]ethanone
CID 31668550
N-[(3R)-1-[1-(3-fluorophenyl)pyrazole-3-carbonyl]piperidin-3-yl]acetamide
CID 94801589
1-[4-[4-[3-(difluoromethoxy)benzoyl]piperazin-1-yl]-3-fluorophenyl]ethanone
CID 18120080

Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-4-[4-[1-(3-fluorophenyl)pyrazole-3-carbonyl]piperazin-1-yl]phenyl]ethanone?
The IUPAC name of 1-[3-fluoro-4-[4-[1-(3-fluorophenyl)pyrazole-3-carbonyl]piperazin-1-yl]phenyl]ethanone (CID 47850211) is 1-[3-fluoro-4-[4-[1-(3-fluorophenyl)pyrazole-3-carbonyl]piperazin-1-yl]phenyl]ethanone.
What is the SMILES notation for 1-[3-fluoro-4-[4-[1-(3-fluorophenyl)pyrazole-3-carbonyl]piperazin-1-yl]phenyl]ethanone?
The canonical SMILES for 1-[3-fluoro-4-[4-[1-(3-fluorophenyl)pyrazole-3-carbonyl]piperazin-1-yl]phenyl]ethanone is CC(=O)c1ccc(N2CCN(C(=O)c3ccn(-c4cccc(F)c4)n3)CC2)c(F)c1.
What is the InChIKey of 1-[3-fluoro-4-[4-[1-(3-fluorophenyl)pyrazole-3-carbonyl]piperazin-1-yl]phenyl]ethanone?
The InChIKey is QDIUQBNUGJKIKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F2N4O2/c1-15(29)16-5-6-21(19(24)13-16)26-9-11-27(12-10-26)22(30)20-7-8-28(25-20)18-4-2-3-17(23)14-18/h2-8,13-14H,9-12H2,1H3.
What are the key properties of 1-[3-fluoro-4-[4-[1-(3-fluorophenyl)pyrazole-3-carbonyl]piperazin-1-yl]phenyl]ethanone?
1-[3-fluoro-4-[4-[1-(3-fluorophenyl)pyrazole-3-carbonyl]piperazin-1-yl]phenyl]ethanone has a molecular weight of 410.42 g/mol, XLogP of 3.32, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-4-[4-[1-(3-fluorophenyl)pyrazole-3-carbonyl]piperazin-1-yl]phenyl]ethanone is sourced from PubChem (CID 47850211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).