N-cyclooctyl-3-(2-fluorophenyl)-2-pentyl-3,4-dihydropyrazole-5-carboxamide

C23H34FN3O — CID 25230602

IUPACN-cyclooctyl-3-(2-fluorophenyl)-2-pentyl-3,4-dihydropyrazole-5-carboxamide
SMILESCCCCCN1N=C(C(=O)NC2CCCCCCC2)CC1c1ccccc1F
InChIInChI=1S/C23H34FN3O/c1-2-3-11-16-27-22(19-14-9-10-15-20(19)24)17-21(26-27)23(28)25-18-12-7-5-4-6-8-13-18/h9-10,14-15,18,22H,2-8,11-13,16-17H2,1H3,(H,25,28)
InChIKeyZRVVHRPUUCRBBS-UHFFFAOYSA-N
MW387.54 g/mol
LogP5.35
Rot. Bonds7

About N-cyclooctyl-3-(2-fluorophenyl)-2-pentyl-3,4-dihydropyrazole-5-carboxamide

N-cyclooctyl-3-(2-fluorophenyl)-2-pentyl-3,4-dihydropyrazole-5-carboxamide (PubChem CID 25230602) has the molecular formula C23H34FN3O and a molecular weight of 387.54 g/mol. Its IUPAC name is N-cyclooctyl-3-(2-fluorophenyl)-2-pentyl-3,4-dihydropyrazole-5-carboxamide.

Molecular Properties

Compound NameN-cyclooctyl-3-(2-fluorophenyl)-2-pentyl-3,4-dihydropyrazole-5-carboxamide
PubChem CID25230602
Molecular FormulaC23H34FN3O
Molecular Weight387.54 g/mol
Exact Mass387.27
IUPAC NameN-cyclooctyl-3-(2-fluorophenyl)-2-pentyl-3,4-dihydropyrazole-5-carboxamide
SMILESCCCCCN1N=C(C(=O)NC2CCCCCCC2)CC1c1ccccc1F
InChIInChI=1S/C23H34FN3O/c1-2-3-11-16-27-22(19-14-9-10-15-20(19)24)17-21(26-27)23(28)25-18-12-7-5-4-6-8-13-18/h9-10,14-15,18,22H,2-8,11-13,16-17H2,1H3,(H,25,28)
InChIKeyZRVVHRPUUCRBBS-UHFFFAOYSA-N
XLogP5.35
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.54
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-Pentyl-5-phenyl-4,5-dihydro-1H-pyrazole-3-carboxylic acid adamantan-2-ylamide
CID 25230443
N-(2-(4-fluorophenyl)propan-2-yl)-1-pentyl-5-phenyl-4,5-dihydro-1H-pyrazole-3-carboxamide
CID 25230523
(9Z,12Z)-N-[1-(4-fluorophenyl)ethyl]octadeca-9,12-dienamide
CID 162652374
3-methyl-5-phenyl-1-(3-phenylpropanoyl)-4,5-dihydro-1H-pyrazole
CID 2992078
N-[(4-fluorophenyl)methyl]hexadecanamide
CID 71770309
2-Piperidinone, 6-((4,5-dihydro-5-phenyl-1H-pyrazol-3-yl)methyl)-4,4-dimethyl-
CID 3065245
4-(3-(4-fluorophenyl)-6-oxopyridazin-1(6H)-yl)-N-(1-phenylethyl)butanamide
CID 16884998
N-[1-(2,4-difluorophenyl)ethyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 24545501
5-ethyl-N-(1-phenylethyl)-1-propyl-4,6,7,7a-tetrahydro-3aH-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 52947197
1-(5-Methyl-3-phenyl-3,4-dihydropyrazol-2-yl)-2-phenylethanone
CID 2925971
3-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)-N-(1-phenylethyl)propanamide
CID 126458708
N-[1-(3-fluorophenyl)ethyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 24545583

Frequently Asked Questions

What is the IUPAC name of N-cyclooctyl-3-(2-fluorophenyl)-2-pentyl-3,4-dihydropyrazole-5-carboxamide?
The IUPAC name of N-cyclooctyl-3-(2-fluorophenyl)-2-pentyl-3,4-dihydropyrazole-5-carboxamide (CID 25230602) is N-cyclooctyl-3-(2-fluorophenyl)-2-pentyl-3,4-dihydropyrazole-5-carboxamide.
What is the SMILES notation for N-cyclooctyl-3-(2-fluorophenyl)-2-pentyl-3,4-dihydropyrazole-5-carboxamide?
The canonical SMILES for N-cyclooctyl-3-(2-fluorophenyl)-2-pentyl-3,4-dihydropyrazole-5-carboxamide is CCCCCN1N=C(C(=O)NC2CCCCCCC2)CC1c1ccccc1F.
What is the InChIKey of N-cyclooctyl-3-(2-fluorophenyl)-2-pentyl-3,4-dihydropyrazole-5-carboxamide?
The InChIKey is ZRVVHRPUUCRBBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34FN3O/c1-2-3-11-16-27-22(19-14-9-10-15-20(19)24)17-21(26-27)23(28)25-18-12-7-5-4-6-8-13-18/h9-10,14-15,18,22H,2-8,11-13,16-17H2,1H3,(H,25,28).
What are the key properties of N-cyclooctyl-3-(2-fluorophenyl)-2-pentyl-3,4-dihydropyrazole-5-carboxamide?
N-cyclooctyl-3-(2-fluorophenyl)-2-pentyl-3,4-dihydropyrazole-5-carboxamide has a molecular weight of 387.54 g/mol, XLogP of 5.35, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclooctyl-3-(2-fluorophenyl)-2-pentyl-3,4-dihydropyrazole-5-carboxamide is sourced from PubChem (CID 25230602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).