5-cyclopentyl-1-[3-[3-(dimethylcarbamoyl)-2-fluorophenyl]phenyl]pyrazole-4-carboxylic acid

C24H24FN3O3 — CID 126753983

IUPAC5-cyclopentyl-1-[3-[3-(dimethylcarbamoyl)-2-fluorophenyl]phenyl]pyrazole-4-carboxylic acid
SMILESCN(C)C(=O)c1cccc(-c2cccc(-n3ncc(C(=O)O)c3C3CCCC3)c2)c1F
InChIInChI=1S/C24H24FN3O3/c1-27(2)23(29)19-12-6-11-18(21(19)25)16-9-5-10-17(13-16)28-22(15-7-3-4-8-15)20(14-26-28)24(30)31/h5-6,9-15H,3-4,7-8H2,1-2H3,(H,30,31)
InChIKeyGAQHKXRNBWTKSO-UHFFFAOYSA-N
MW421.47 g/mol
LogP4.74
Rot. Bonds5

About 5-cyclopentyl-1-[3-[3-(dimethylcarbamoyl)-2-fluorophenyl]phenyl]pyrazole-4-carboxylic acid

5-cyclopentyl-1-[3-[3-(dimethylcarbamoyl)-2-fluorophenyl]phenyl]pyrazole-4-carboxylic acid (PubChem CID 126753983) has the molecular formula C24H24FN3O3 and a molecular weight of 421.47 g/mol. Its IUPAC name is 5-cyclopentyl-1-[3-[3-(dimethylcarbamoyl)-2-fluorophenyl]phenyl]pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-cyclopentyl-1-[3-[3-(dimethylcarbamoyl)-2-fluorophenyl]phenyl]pyrazole-4-carboxylic acid
PubChem CID126753983
Molecular FormulaC24H24FN3O3
Molecular Weight421.47 g/mol
Exact Mass421.18
IUPAC Name5-cyclopentyl-1-[3-[3-(dimethylcarbamoyl)-2-fluorophenyl]phenyl]pyrazole-4-carboxylic acid
SMILESCN(C)C(=O)c1cccc(-c2cccc(-n3ncc(C(=O)O)c3C3CCCC3)c2)c1F
InChIInChI=1S/C24H24FN3O3/c1-27(2)23(29)19-12-6-11-18(21(19)25)16-9-5-10-17(13-16)28-22(15-7-3-4-8-15)20(14-26-28)24(30)31/h5-6,9-15H,3-4,7-8H2,1-2H3,(H,30,31)
InChIKeyGAQHKXRNBWTKSO-UHFFFAOYSA-N
XLogP4.74
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.47
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-[3-[cyclopentylmethyl(methyl)carbamoyl]-2-fluorophenyl]phenyl]-5-cyclopropylpyrazole-4-carboxylic acid
CID 126754599
3-[3-(5-cyclopropyl-4-methoxycarbonylpyrazol-1-yl)phenyl]-2-fluorobenzoic acid
CID 126754407
5-cyclopropyl-1-[3-[2-fluoro-3-[(2R)-2-propylpiperidine-1-carbonyl]phenyl]phenyl]pyrazole-4-carboxylic acid
CID 126754491
5-cyclopropyl-1-[3-[2-fluoro-3-(2-propylpiperidine-1-carbonyl)phenyl]phenyl]pyrazole-4-carboxylic acid
CID 126754339
5-cyclohexyl-1-(3-methylphenyl)pyrazole-4-carboxylic acid
CID 82361438
5-cyclopropyl-1-[3-[2-fluoro-3-(2-oxa-8-azaspiro[5.5]undecane-8-carbonyl)phenyl]phenyl]pyrazole-4-carboxylic acid
CID 126754460
1-[3-[2-fluoro-3-[methyl(2-methylpropyl)carbamoyl]phenyl]phenyl]-5-[(2R)-2-(1-methyltriazol-4-yl)cyclopropyl]pyrazole-4-carboxylic acid
CID 139351731
5-cyclopropyl-1-[3-[(1R)-3-(dimethylcarbamoyl)cyclohexyl]phenyl]pyrazole-4-carboxylic acid
CID 139318399
1-[3-[3-(azepane-1-carbonyl)-2-fluorophenyl]phenyl]-5-[(1R,2R)-2-(1-methyltriazol-4-yl)cyclopropyl]pyrazole-4-carboxylic acid
CID 126754692
1-[3-[3-(2-ethylpiperidine-1-carbonyl)-2-fluorophenyl]phenyl]-5-[(2R)-2-(1-methyltriazol-4-yl)cyclopropyl]pyrazole-4-carboxylic acid
CID 160988056
5-cyclopropyl-1-[3-[3-(oxolan-2-yl)phenyl]phenyl]pyrazole-4-carboxylic acid
CID 126754536
methyl 5-cyclopropyl-1-[3-[2-fluoro-3-(2-oxa-5-azabicyclo[2.2.1]hept-1(6)-ene-5-carbonyl)phenyl]phenyl]pyrazole-4-carboxylate
CID 129025133

Frequently Asked Questions

What is the IUPAC name of 5-cyclopentyl-1-[3-[3-(dimethylcarbamoyl)-2-fluorophenyl]phenyl]pyrazole-4-carboxylic acid?
The IUPAC name of 5-cyclopentyl-1-[3-[3-(dimethylcarbamoyl)-2-fluorophenyl]phenyl]pyrazole-4-carboxylic acid (CID 126753983) is 5-cyclopentyl-1-[3-[3-(dimethylcarbamoyl)-2-fluorophenyl]phenyl]pyrazole-4-carboxylic acid.
What is the SMILES notation for 5-cyclopentyl-1-[3-[3-(dimethylcarbamoyl)-2-fluorophenyl]phenyl]pyrazole-4-carboxylic acid?
The canonical SMILES for 5-cyclopentyl-1-[3-[3-(dimethylcarbamoyl)-2-fluorophenyl]phenyl]pyrazole-4-carboxylic acid is CN(C)C(=O)c1cccc(-c2cccc(-n3ncc(C(=O)O)c3C3CCCC3)c2)c1F.
What is the InChIKey of 5-cyclopentyl-1-[3-[3-(dimethylcarbamoyl)-2-fluorophenyl]phenyl]pyrazole-4-carboxylic acid?
The InChIKey is GAQHKXRNBWTKSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN3O3/c1-27(2)23(29)19-12-6-11-18(21(19)25)16-9-5-10-17(13-16)28-22(15-7-3-4-8-15)20(14-26-28)24(30)31/h5-6,9-15H,3-4,7-8H2,1-2H3,(H,30,31).
What are the key properties of 5-cyclopentyl-1-[3-[3-(dimethylcarbamoyl)-2-fluorophenyl]phenyl]pyrazole-4-carboxylic acid?
5-cyclopentyl-1-[3-[3-(dimethylcarbamoyl)-2-fluorophenyl]phenyl]pyrazole-4-carboxylic acid has a molecular weight of 421.47 g/mol, XLogP of 4.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopentyl-1-[3-[3-(dimethylcarbamoyl)-2-fluorophenyl]phenyl]pyrazole-4-carboxylic acid is sourced from PubChem (CID 126753983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).