N-cyclooctyl-3-[2-(4-fluorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]propanamide

C21H28FN3O2 — CID 17469992

IUPACN-cyclooctyl-3-[2-(4-fluorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]propanamide
SMILESCc1[nH]n(-c2ccc(F)cc2)c(=O)c1CCC(=O)NC1CCCCCCC1
InChIInChI=1S/C21H28FN3O2/c1-15-19(21(27)25(24-15)18-11-9-16(22)10-12-18)13-14-20(26)23-17-7-5-3-2-4-6-8-17/h9-12,17,24H,2-8,13-14H2,1H3,(H,23,26)
InChIKeyGNHPEHLVBNRCQB-UHFFFAOYSA-N
MW373.47 g/mol
LogP3.77
Rot. Bonds5

About N-cyclooctyl-3-[2-(4-fluorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]propanamide

N-cyclooctyl-3-[2-(4-fluorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]propanamide (PubChem CID 17469992) has the molecular formula C21H28FN3O2 and a molecular weight of 373.47 g/mol. Its IUPAC name is N-cyclooctyl-3-[2-(4-fluorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]propanamide.

Molecular Properties

Compound NameN-cyclooctyl-3-[2-(4-fluorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]propanamide
PubChem CID17469992
Molecular FormulaC21H28FN3O2
Molecular Weight373.47 g/mol
Exact Mass373.22
IUPAC NameN-cyclooctyl-3-[2-(4-fluorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]propanamide
SMILESCc1[nH]n(-c2ccc(F)cc2)c(=O)c1CCC(=O)NC1CCCCCCC1
InChIInChI=1S/C21H28FN3O2/c1-15-19(21(27)25(24-15)18-11-9-16(22)10-12-18)13-14-20(26)23-17-7-5-3-2-4-6-8-17/h9-12,17,24H,2-8,13-14H2,1H3,(H,23,26)
InChIKeyGNHPEHLVBNRCQB-UHFFFAOYSA-N
XLogP3.77
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.47
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-cyclooctyl-3-[2-(4-fluorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclopentyl-3-[2-(4-fluorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]propanamide
CID 17460627
3-[2-(4-fluorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]-N-[1-(2-hydroxyethyl)cyclopropyl]propanamide
CID 167907121
N-[(4-fluoro-3-methylphenyl)methyl]-3-[2-(4-fluorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]propanamide
CID 25468011
3-(4-fluorophenyl)-N-(4-hydroxycyclohexyl)propanamide
CID 43392085
N-cyclopentyl-3-[[N-[2-(4-fluorophenyl)ethyl]-N'-methylcarbamimidoyl]amino]propanamide;hydroiodide
CID 111229934
N-[(1R,2R,3R)-2,3-dihydroxycycloheptyl]-3-(4-fluorophenyl)propanamide
CID 110125855
N-cyclohexyl-3-(2,6-dimethoxyphenyl)propanamide
CID 100789356
N-cyclopentyl-2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide
CID 46489384
4-(N-cyclohexyl-C-methylcarbonimidoyl)-2-(4-fluorophenyl)-5-methyl-1H-pyrazol-3-one
CID 135727477
N-cyclopropyl-3-[5-(4-fluorophenoxy)-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]propanamide
CID 42850586
N-cyclopentyl-3-[(4-fluorophenyl)methylamino]propanamide
CID 109013440
N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-3-(4-fluorophenyl)propanamide
CID 110819897

Frequently Asked Questions

What is the IUPAC name of N-cyclooctyl-3-[2-(4-fluorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]propanamide?
The IUPAC name of N-cyclooctyl-3-[2-(4-fluorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]propanamide (CID 17469992) is N-cyclooctyl-3-[2-(4-fluorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]propanamide.
What is the SMILES notation for N-cyclooctyl-3-[2-(4-fluorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]propanamide?
The canonical SMILES for N-cyclooctyl-3-[2-(4-fluorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]propanamide is Cc1[nH]n(-c2ccc(F)cc2)c(=O)c1CCC(=O)NC1CCCCCCC1.
What is the InChIKey of N-cyclooctyl-3-[2-(4-fluorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]propanamide?
The InChIKey is GNHPEHLVBNRCQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28FN3O2/c1-15-19(21(27)25(24-15)18-11-9-16(22)10-12-18)13-14-20(26)23-17-7-5-3-2-4-6-8-17/h9-12,17,24H,2-8,13-14H2,1H3,(H,23,26).
What are the key properties of N-cyclooctyl-3-[2-(4-fluorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]propanamide?
N-cyclooctyl-3-[2-(4-fluorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]propanamide has a molecular weight of 373.47 g/mol, XLogP of 3.77, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclooctyl-3-[2-(4-fluorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]propanamide is sourced from PubChem (CID 17469992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).