1-(4-fluorophenyl)-N-[1-(2-sulfamoyl-4-pyridinyl)propyl]-6,7-dihydrocycloocta[d]pyrazole-4-carboxamide

C24H24FN5O3S — CID 90870181

IUPAC1-(4-fluorophenyl)-N-[1-(2-sulfamoyl-4-pyridinyl)propyl]-6,7-dihydrocycloocta[d]pyrazole-4-carboxamide
SMILESCCC(NC(=O)C1=CCCC=Cc2c1cnn2-c1ccc(F)cc1)c1ccnc(S(N)(=O)=O)c1
InChIInChI=1S/C24H24FN5O3S/c1-2-21(16-12-13-27-23(14-16)34(26,32)33)29-24(31)19-6-4-3-5-7-22-20(19)15-28-30(22)18-10-8-17(25)9-11-18/h5-15,21H,2-4H2,1H3,(H,29,31)(H2,26,32,33)
InChIKeyLUFAJRFBMFFNPO-UHFFFAOYSA-N
MW481.55 g/mol
LogP3.51
Rot. Bonds6

About 1-(4-fluorophenyl)-N-[1-(2-sulfamoyl-4-pyridinyl)propyl]-6,7-dihydrocycloocta[d]pyrazole-4-carboxamide

1-(4-fluorophenyl)-N-[1-(2-sulfamoyl-4-pyridinyl)propyl]-6,7-dihydrocycloocta[d]pyrazole-4-carboxamide (PubChem CID 90870181) has the molecular formula C24H24FN5O3S and a molecular weight of 481.55 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[1-(2-sulfamoyl-4-pyridinyl)propyl]-6,7-dihydrocycloocta[d]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[1-(2-sulfamoyl-4-pyridinyl)propyl]-6,7-dihydrocycloocta[d]pyrazole-4-carboxamide
PubChem CID90870181
Molecular FormulaC24H24FN5O3S
Molecular Weight481.55 g/mol
Exact Mass481.16
IUPAC Name1-(4-fluorophenyl)-N-[1-(2-sulfamoyl-4-pyridinyl)propyl]-6,7-dihydrocycloocta[d]pyrazole-4-carboxamide
SMILESCCC(NC(=O)C1=CCCC=Cc2c1cnn2-c1ccc(F)cc1)c1ccnc(S(N)(=O)=O)c1
InChIInChI=1S/C24H24FN5O3S/c1-2-21(16-12-13-27-23(14-16)34(26,32)33)29-24(31)19-6-4-3-5-7-22-20(19)15-28-30(22)18-10-8-17(25)9-11-18/h5-15,21H,2-4H2,1H3,(H,29,31)(H2,26,32,33)
InChIKeyLUFAJRFBMFFNPO-UHFFFAOYSA-N
XLogP3.51
TPSA119.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.55
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[1-(2-sulfamoyl-4-pyridinyl)propyl]-6,7-dihydrocycloocta[d]pyrazole-4-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-[1-(2-sulfamoyl-4-pyridinyl)propyl]-6,7-dihydrocycloocta[d]pyrazole-4-carboxamide (CID 90870181) is 1-(4-fluorophenyl)-N-[1-(2-sulfamoyl-4-pyridinyl)propyl]-6,7-dihydrocycloocta[d]pyrazole-4-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[1-(2-sulfamoyl-4-pyridinyl)propyl]-6,7-dihydrocycloocta[d]pyrazole-4-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-[1-(2-sulfamoyl-4-pyridinyl)propyl]-6,7-dihydrocycloocta[d]pyrazole-4-carboxamide is CCC(NC(=O)C1=CCCC=Cc2c1cnn2-c1ccc(F)cc1)c1ccnc(S(N)(=O)=O)c1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[1-(2-sulfamoyl-4-pyridinyl)propyl]-6,7-dihydrocycloocta[d]pyrazole-4-carboxamide?
The InChIKey is LUFAJRFBMFFNPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN5O3S/c1-2-21(16-12-13-27-23(14-16)34(26,32)33)29-24(31)19-6-4-3-5-7-22-20(19)15-28-30(22)18-10-8-17(25)9-11-18/h5-15,21H,2-4H2,1H3,(H,29,31)(H2,26,32,33).
What are the key properties of 1-(4-fluorophenyl)-N-[1-(2-sulfamoyl-4-pyridinyl)propyl]-6,7-dihydrocycloocta[d]pyrazole-4-carboxamide?
1-(4-fluorophenyl)-N-[1-(2-sulfamoyl-4-pyridinyl)propyl]-6,7-dihydrocycloocta[d]pyrazole-4-carboxamide has a molecular weight of 481.55 g/mol, XLogP of 3.51, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[1-(2-sulfamoyl-4-pyridinyl)propyl]-6,7-dihydrocycloocta[d]pyrazole-4-carboxamide is sourced from PubChem (CID 90870181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).