1-[1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide

C23H24FN5O2S — CID 55951393

IUPAC1-[1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
SMILESCc1csc(NC(=O)C2CCN(C(=O)c3nn(-c4ccccc4F)c4c3CCC4)CC2)n1
InChIInChI=1S/C23H24FN5O2S/c1-14-13-32-23(25-14)26-21(30)15-9-11-28(12-10-15)22(31)20-16-5-4-8-18(16)29(27-20)19-7-3-2-6-17(19)24/h2-3,6-7,13,15H,4-5,8-12H2,1H3,(H,25,26,30)
InChIKeyYSNZMOMMZCLDGI-UHFFFAOYSA-N
MW453.54 g/mol
LogP3.76
Rot. Bonds4

About 1-[1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide

1-[1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide (PubChem CID 55951393) has the molecular formula C23H24FN5O2S and a molecular weight of 453.54 g/mol. Its IUPAC name is 1-[1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
PubChem CID55951393
Molecular FormulaC23H24FN5O2S
Molecular Weight453.54 g/mol
Exact Mass453.16
IUPAC Name1-[1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
SMILESCc1csc(NC(=O)C2CCN(C(=O)c3nn(-c4ccccc4F)c4c3CCC4)CC2)n1
InChIInChI=1S/C23H24FN5O2S/c1-14-13-32-23(25-14)26-21(30)15-9-11-28(12-10-15)22(31)20-16-5-4-8-18(16)29(27-20)19-7-3-2-6-17(19)24/h2-3,6-7,13,15H,4-5,8-12H2,1H3,(H,25,26,30)
InChIKeyYSNZMOMMZCLDGI-UHFFFAOYSA-N
XLogP3.76
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.54
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-[4-(methylamino)piperidin-1-yl]methanone
CID 119559894
[4-(1-aminoethyl)piperidin-1-yl]-[1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methanone;hydrochloride
CID 119516871
(4-amino-3,3-dimethylpiperidin-1-yl)-[1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methanone
CID 120815818
N-(5-chloro-2-pyridinyl)-1-[1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]piperidine-3-carboxamide
CID 55924278
1-[4-[(2-methylphenyl)sulfamoyl]benzoyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 55952659
1-(2-bromobenzoyl)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 55952652
3,4-dihydro-1H-isoquinolin-2-yl-[1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methanone
CID 39033571
N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 46453271
[1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]methanone
CID 39714960
[3-(1-aminoethyl)piperidin-1-yl]-[1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methanone
CID 119592869
(3R)-1-(2-fluorophenyl)-N-(4-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 29134329
1-[4-(1,3-dithian-2-yl)benzoyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 51123076

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide?
The IUPAC name of 1-[1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide (CID 55951393) is 1-[1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-[1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide is Cc1csc(NC(=O)C2CCN(C(=O)c3nn(-c4ccccc4F)c4c3CCC4)CC2)n1.
What is the InChIKey of 1-[1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide?
The InChIKey is YSNZMOMMZCLDGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN5O2S/c1-14-13-32-23(25-14)26-21(30)15-9-11-28(12-10-15)22(31)20-16-5-4-8-18(16)29(27-20)19-7-3-2-6-17(19)24/h2-3,6-7,13,15H,4-5,8-12H2,1H3,(H,25,26,30).
What are the key properties of 1-[1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide?
1-[1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide has a molecular weight of 453.54 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 55951393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).