5-[4-(3-chlorophenyl)piperazine-1-carbonyl]-2-(4-fluorophenyl)-3,4-dihydropyrazole-3-carboxamide

C21H21ClFN5O2 — CID 42889427

IUPAC5-[4-(3-chlorophenyl)piperazine-1-carbonyl]-2-(4-fluorophenyl)-3,4-dihydropyrazole-3-carboxamide
SMILESNC(=O)C1CC(C(=O)N2CCN(c3cccc(Cl)c3)CC2)=NN1c1ccc(F)cc1
InChIInChI=1S/C21H21ClFN5O2/c22-14-2-1-3-17(12-14)26-8-10-27(11-9-26)21(30)18-13-19(20(24)29)28(25-18)16-6-4-15(23)5-7-16/h1-7,12,19H,8-11,13H2,(H2,24,29)
InChIKeyZSDJCOFVWCVLGS-UHFFFAOYSA-N
MW429.88 g/mol
LogP2.25
Rot. Bonds4

About 5-[4-(3-chlorophenyl)piperazine-1-carbonyl]-2-(4-fluorophenyl)-3,4-dihydropyrazole-3-carboxamide

5-[4-(3-chlorophenyl)piperazine-1-carbonyl]-2-(4-fluorophenyl)-3,4-dihydropyrazole-3-carboxamide (PubChem CID 42889427) has the molecular formula C21H21ClFN5O2 and a molecular weight of 429.88 g/mol. Its IUPAC name is 5-[4-(3-chlorophenyl)piperazine-1-carbonyl]-2-(4-fluorophenyl)-3,4-dihydropyrazole-3-carboxamide.

Molecular Properties

Compound Name5-[4-(3-chlorophenyl)piperazine-1-carbonyl]-2-(4-fluorophenyl)-3,4-dihydropyrazole-3-carboxamide
PubChem CID42889427
Molecular FormulaC21H21ClFN5O2
Molecular Weight429.88 g/mol
Exact Mass429.14
IUPAC Name5-[4-(3-chlorophenyl)piperazine-1-carbonyl]-2-(4-fluorophenyl)-3,4-dihydropyrazole-3-carboxamide
SMILESNC(=O)C1CC(C(=O)N2CCN(c3cccc(Cl)c3)CC2)=NN1c1ccc(F)cc1
InChIInChI=1S/C21H21ClFN5O2/c22-14-2-1-3-17(12-14)26-8-10-27(11-9-26)21(30)18-13-19(20(24)29)28(25-18)16-6-4-15(23)5-7-16/h1-7,12,19H,8-11,13H2,(H2,24,29)
InChIKeyZSDJCOFVWCVLGS-UHFFFAOYSA-N
XLogP2.25
TPSA82.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.88
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2-chloro-5-fluorophenyl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 71822560
5-[4-(2,4-difluorophenoxy)piperidine-1-carbonyl]-2-phenyl-3,4-dihydropyrazole-3-carboxamide
CID 112836577
[4-(3-chlorophenyl)piperazin-1-yl]-(4-fluoro-2-iodophenyl)methanone
CID 39717758
2-phenyl-5-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazine-1-carbonyl]-3,4-dihydropyrazole-3-carboxamide
CID 56551463
(4-chloro-2-fluorophenyl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 8967500
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(4-fluorophenoxy)ethanone
CID 17193886
[3-[4-(3-chlorophenyl)piperazine-1-carbonyl]phenyl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 1069884
[4-(3-chlorophenyl)piperazin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 63038242
(2,4,6-trimethylphenyl) 3-carbamoyl-2-(4-fluorophenyl)-3,4-dihydropyrazole-5-carboxylate
CID 55571947
(3S)-5-(1-methyl-3,5-dihydro-2H-1,4-benzodiazepine-4-carbonyl)-2-phenyl-3,4-dihydropyrazole-3-carboxamide
CID 96998888
5-[4-(1,1-dioxothiolan-3-yl)sulfonylpiperazine-1-carbonyl]-2-phenyl-3,4-dihydropyrazole-3-carboxamide
CID 55815601
6-[4-(3-chlorophenyl)piperazine-1-carbonyl]-2-(4-methylphenyl)-4,5-dihydropyridazin-3-one
CID 3662289

Frequently Asked Questions

What is the IUPAC name of 5-[4-(3-chlorophenyl)piperazine-1-carbonyl]-2-(4-fluorophenyl)-3,4-dihydropyrazole-3-carboxamide?
The IUPAC name of 5-[4-(3-chlorophenyl)piperazine-1-carbonyl]-2-(4-fluorophenyl)-3,4-dihydropyrazole-3-carboxamide (CID 42889427) is 5-[4-(3-chlorophenyl)piperazine-1-carbonyl]-2-(4-fluorophenyl)-3,4-dihydropyrazole-3-carboxamide.
What is the SMILES notation for 5-[4-(3-chlorophenyl)piperazine-1-carbonyl]-2-(4-fluorophenyl)-3,4-dihydropyrazole-3-carboxamide?
The canonical SMILES for 5-[4-(3-chlorophenyl)piperazine-1-carbonyl]-2-(4-fluorophenyl)-3,4-dihydropyrazole-3-carboxamide is NC(=O)C1CC(C(=O)N2CCN(c3cccc(Cl)c3)CC2)=NN1c1ccc(F)cc1.
What is the InChIKey of 5-[4-(3-chlorophenyl)piperazine-1-carbonyl]-2-(4-fluorophenyl)-3,4-dihydropyrazole-3-carboxamide?
The InChIKey is ZSDJCOFVWCVLGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClFN5O2/c22-14-2-1-3-17(12-14)26-8-10-27(11-9-26)21(30)18-13-19(20(24)29)28(25-18)16-6-4-15(23)5-7-16/h1-7,12,19H,8-11,13H2,(H2,24,29).
What are the key properties of 5-[4-(3-chlorophenyl)piperazine-1-carbonyl]-2-(4-fluorophenyl)-3,4-dihydropyrazole-3-carboxamide?
5-[4-(3-chlorophenyl)piperazine-1-carbonyl]-2-(4-fluorophenyl)-3,4-dihydropyrazole-3-carboxamide has a molecular weight of 429.88 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(3-chlorophenyl)piperazine-1-carbonyl]-2-(4-fluorophenyl)-3,4-dihydropyrazole-3-carboxamide is sourced from PubChem (CID 42889427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).