N-[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]-3-cyclopentylpropanamide

C21H28FN3O — CID 42731482

IUPACN-[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]-3-cyclopentylpropanamide
SMILESCC(C)(C)c1cc(NC(=O)CCC2CCCC2)n(-c2ccc(F)cc2)n1
InChIInChI=1S/C21H28FN3O/c1-21(2,3)18-14-19(23-20(26)13-8-15-6-4-5-7-15)25(24-18)17-11-9-16(22)10-12-17/h9-12,14-15H,4-8,13H2,1-3H3,(H,23,26)
InChIKeyLYHLZOBQKRWIKA-UHFFFAOYSA-N
MW357.47 g/mol
LogP5.22
Rot. Bonds5

About N-[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]-3-cyclopentylpropanamide

N-[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]-3-cyclopentylpropanamide (PubChem CID 42731482) has the molecular formula C21H28FN3O and a molecular weight of 357.47 g/mol. Its IUPAC name is N-[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]-3-cyclopentylpropanamide.

Molecular Properties

Compound NameN-[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]-3-cyclopentylpropanamide
PubChem CID42731482
Molecular FormulaC21H28FN3O
Molecular Weight357.47 g/mol
Exact Mass357.22
IUPAC NameN-[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]-3-cyclopentylpropanamide
SMILESCC(C)(C)c1cc(NC(=O)CCC2CCCC2)n(-c2ccc(F)cc2)n1
InChIInChI=1S/C21H28FN3O/c1-21(2,3)18-14-19(23-20(26)13-8-15-6-4-5-7-15)25(24-18)17-11-9-16(22)10-12-17/h9-12,14-15H,4-8,13H2,1-3H3,(H,23,26)
InChIKeyLYHLZOBQKRWIKA-UHFFFAOYSA-N
XLogP5.22
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.47
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]-5-methoxypentanamide
CID 86871838
N-[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]-2-(1-cyclopentyltetrazol-5-yl)sulfanylacetamide
CID 60517738
ethyl (3R)-1-[4-[[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]amino]-4-oxobutanoyl]piperidine-3-carboxylate
CID 92518145
N-[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]-2-(2-oxoazocan-1-yl)acetamide
CID 55760969
3-amino-N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]propanamide
CID 119293994
N-[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]oxolane-3-carboxamide
CID 75921275
N-[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]-4-(dimethylamino)piperidine-1-carboxamide
CID 126768402
1-[[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]carbamoyl]piperidine-4-carboxylic acid
CID 122075912
[2-[(3-tert-butyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl] 2-cyclopentylacetate
CID 7722369
N-[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 46427596
N-[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]-2-(4-chlorophenyl)sulfonylacetamide
CID 60516375
4-[[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]carbamoylamino]butanoic acid
CID 122075911

Frequently Asked Questions

What is the IUPAC name of N-[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]-3-cyclopentylpropanamide?
The IUPAC name of N-[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]-3-cyclopentylpropanamide (CID 42731482) is N-[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]-3-cyclopentylpropanamide.
What is the SMILES notation for N-[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]-3-cyclopentylpropanamide?
The canonical SMILES for N-[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]-3-cyclopentylpropanamide is CC(C)(C)c1cc(NC(=O)CCC2CCCC2)n(-c2ccc(F)cc2)n1.
What is the InChIKey of N-[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]-3-cyclopentylpropanamide?
The InChIKey is LYHLZOBQKRWIKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28FN3O/c1-21(2,3)18-14-19(23-20(26)13-8-15-6-4-5-7-15)25(24-18)17-11-9-16(22)10-12-17/h9-12,14-15H,4-8,13H2,1-3H3,(H,23,26).
What are the key properties of N-[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]-3-cyclopentylpropanamide?
N-[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]-3-cyclopentylpropanamide has a molecular weight of 357.47 g/mol, XLogP of 5.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]-3-cyclopentylpropanamide is sourced from PubChem (CID 42731482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).