1-[1-(2-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl]-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide

C23H28F4N4O3 — CID 112829603

IUPAC1-[1-(2-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl]-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide
SMILESCC(C)OCCCNC(=O)C1CCN(C(=O)c2cnn(-c3ccccc3F)c2C(F)(F)F)CC1
InChIInChI=1S/C23H28F4N4O3/c1-15(2)34-13-5-10-28-21(32)16-8-11-30(12-9-16)22(33)17-14-29-31(20(17)23(25,26)27)19-7-4-3-6-18(19)24/h3-4,6-7,14-16H,5,8-13H2,1-2H3,(H,28,32)
InChIKeyJNBVTRBVIBFYMP-UHFFFAOYSA-N
MW484.49 g/mol
LogP3.81
Rot. Bonds8

About 1-[1-(2-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl]-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide

1-[1-(2-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl]-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide (PubChem CID 112829603) has the molecular formula C23H28F4N4O3 and a molecular weight of 484.49 g/mol. Its IUPAC name is 1-[1-(2-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl]-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[1-(2-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl]-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide
PubChem CID112829603
Molecular FormulaC23H28F4N4O3
Molecular Weight484.49 g/mol
Exact Mass484.21
IUPAC Name1-[1-(2-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl]-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide
SMILESCC(C)OCCCNC(=O)C1CCN(C(=O)c2cnn(-c3ccccc3F)c2C(F)(F)F)CC1
InChIInChI=1S/C23H28F4N4O3/c1-15(2)34-13-5-10-28-21(32)16-8-11-30(12-9-16)22(33)17-14-29-31(20(17)23(25,26)27)19-7-4-3-6-18(19)24/h3-4,6-7,14-16H,5,8-13H2,1-2H3,(H,28,32)
InChIKeyJNBVTRBVIBFYMP-UHFFFAOYSA-N
XLogP3.81
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.49
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[1-(2-fluorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-(4-phenylmethoxypiperidin-1-yl)methanone
CID 112813928
1-(5-fluoro-2-methylbenzoyl)-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide
CID 86994763
N-butan-2-yl-2-[4-[1-(2-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl]piperazin-1-yl]acetamide
CID 112814413
(2-fluorophenyl)-[4-[1-(2-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl]-1,4-diazepan-1-yl]methanone
CID 112815096
1-benzoyl-N-(2-propan-2-yloxyethyl)piperidine-4-carboxamide
CID 110416664
[4-[1-(2-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl]piperazin-1-yl]-(3-methoxy-4-methylphenyl)methanone
CID 112837424
1-(2-phenoxyacetyl)-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide
CID 55635182
N-(3-ethoxypropyl)-1-[1-(2-fluorophenyl)-2,5-dimethylpyrrole-3-carbonyl]piperidine-4-carboxamide
CID 78871300
1-(4-methoxybenzoyl)-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide
CID 94180810
1-phenyl-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide
CID 17152501
1-(2-fluorophenyl)-N-[3-[2-methoxyethyl(methyl)amino]propyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 112822501
[4-(methylamino)piperidin-1-yl]-[1-(2-methylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]methanone;hydrochloride
CID 119563921

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl]-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide?
The IUPAC name of 1-[1-(2-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl]-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide (CID 112829603) is 1-[1-(2-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl]-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[1-(2-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl]-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[1-(2-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl]-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide is CC(C)OCCCNC(=O)C1CCN(C(=O)c2cnn(-c3ccccc3F)c2C(F)(F)F)CC1.
What is the InChIKey of 1-[1-(2-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl]-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide?
The InChIKey is JNBVTRBVIBFYMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28F4N4O3/c1-15(2)34-13-5-10-28-21(32)16-8-11-30(12-9-16)22(33)17-14-29-31(20(17)23(25,26)27)19-7-4-3-6-18(19)24/h3-4,6-7,14-16H,5,8-13H2,1-2H3,(H,28,32).
What are the key properties of 1-[1-(2-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl]-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide?
1-[1-(2-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl]-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide has a molecular weight of 484.49 g/mol, XLogP of 3.81, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl]-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide is sourced from PubChem (CID 112829603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).