[4-[3-(2,4-dimethylphenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl]-(2-fluorophenyl)methanone

C23H23FN4O2 — CID 20910921

IUPAC[4-[3-(2,4-dimethylphenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl]-(2-fluorophenyl)methanone
SMILESCc1ccc(-c2cc(C(=O)N3CCN(C(=O)c4ccccc4F)CC3)[nH]n2)c(C)c1
InChIInChI=1S/C23H23FN4O2/c1-15-7-8-17(16(2)13-15)20-14-21(26-25-20)23(30)28-11-9-27(10-12-28)22(29)18-5-3-4-6-19(18)24/h3-8,13-14H,9-12H2,1-2H3,(H,25,26)
InChIKeyVGBSNXCISQSTPZ-UHFFFAOYSA-N
MW406.46 g/mol
LogP3.43
Rot. Bonds3

About [4-[3-(2,4-dimethylphenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl]-(2-fluorophenyl)methanone

[4-[3-(2,4-dimethylphenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl]-(2-fluorophenyl)methanone (PubChem CID 20910921) has the molecular formula C23H23FN4O2 and a molecular weight of 406.46 g/mol. Its IUPAC name is [4-[3-(2,4-dimethylphenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl]-(2-fluorophenyl)methanone.

Molecular Properties

Compound Name[4-[3-(2,4-dimethylphenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl]-(2-fluorophenyl)methanone
PubChem CID20910921
Molecular FormulaC23H23FN4O2
Molecular Weight406.46 g/mol
Exact Mass406.18
IUPAC Name[4-[3-(2,4-dimethylphenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl]-(2-fluorophenyl)methanone
SMILESCc1ccc(-c2cc(C(=O)N3CCN(C(=O)c4ccccc4F)CC3)[nH]n2)c(C)c1
InChIInChI=1S/C23H23FN4O2/c1-15-7-8-17(16(2)13-15)20-14-21(26-25-20)23(30)28-11-9-27(10-12-28)22(29)18-5-3-4-6-19(18)24/h3-8,13-14H,9-12H2,1-2H3,(H,25,26)
InChIKeyVGBSNXCISQSTPZ-UHFFFAOYSA-N
XLogP3.43
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.46
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-fluorophenyl)-[4-(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)piperazin-1-yl]methanone
CID 50799893
5-[4-[3-(2,4-dimethylphenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl]sulfonyl-6-methyl-1H-pyrimidine-2,4-dione
CID 20910873
[4-[(2,5-dimethylphenyl)methyl]piperazin-1-yl]-(2-fluorophenyl)methanone
CID 110399164
[4-(2,4-dimethylphenyl)piperazin-1-yl]-(3-naphthalen-1-yl-1H-pyrazol-5-yl)methanone
CID 46920455
(2-fluorophenyl)-[4-(2-methoxy-5-methylbenzoyl)piperazin-1-yl]methanone
CID 33466313
[3-(2-chlorophenyl)-1H-pyrazol-5-yl]-[4-(4-methylphenyl)piperazin-1-yl]methanone
CID 46920414
[(4aS,7aR)-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]-[3-(2,4-dimethylphenyl)-1H-pyrazol-5-yl]methanone
CID 122084608
(2-fluorophenyl)-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]methanone
CID 4816855
[4-(2,5-difluorobenzoyl)piperazin-1-yl]-(2-fluorophenyl)methanone
CID 33466238
(2-fluorophenyl)-[4-[6-(2-methylphenyl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 50840875
(3,4-dimethylphenyl)-[4-(2-fluorobenzoyl)piperazin-1-yl]methanone
CID 110365044
(2,4-dimethylphenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 925290

Frequently Asked Questions

What is the IUPAC name of [4-[3-(2,4-dimethylphenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl]-(2-fluorophenyl)methanone?
The IUPAC name of [4-[3-(2,4-dimethylphenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl]-(2-fluorophenyl)methanone (CID 20910921) is [4-[3-(2,4-dimethylphenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl]-(2-fluorophenyl)methanone.
What is the SMILES notation for [4-[3-(2,4-dimethylphenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl]-(2-fluorophenyl)methanone?
The canonical SMILES for [4-[3-(2,4-dimethylphenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl]-(2-fluorophenyl)methanone is Cc1ccc(-c2cc(C(=O)N3CCN(C(=O)c4ccccc4F)CC3)[nH]n2)c(C)c1.
What is the InChIKey of [4-[3-(2,4-dimethylphenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl]-(2-fluorophenyl)methanone?
The InChIKey is VGBSNXCISQSTPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4O2/c1-15-7-8-17(16(2)13-15)20-14-21(26-25-20)23(30)28-11-9-27(10-12-28)22(29)18-5-3-4-6-19(18)24/h3-8,13-14H,9-12H2,1-2H3,(H,25,26).
What are the key properties of [4-[3-(2,4-dimethylphenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl]-(2-fluorophenyl)methanone?
[4-[3-(2,4-dimethylphenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl]-(2-fluorophenyl)methanone has a molecular weight of 406.46 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(2,4-dimethylphenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl]-(2-fluorophenyl)methanone is sourced from PubChem (CID 20910921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).