3-(4-fluorophenyl)-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-1-methylpyrazole-5-carboxamide

C23H25FN4O4S — CID 167968577

IUPAC3-(4-fluorophenyl)-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-1-methylpyrazole-5-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1cc(-c2ccc(F)cc2)nn1C
InChIInChI=1S/C23H25FN4O4S/c1-27-21(15-19(26-27)16-6-8-17(24)9-7-16)23(29)25-20-14-18(10-11-22(20)32-2)33(30,31)28-12-4-3-5-13-28/h6-11,14-15H,3-5,12-13H2,1-2H3,(H,25,29)
InChIKeyXDQLDPUYPPVFCY-UHFFFAOYSA-N
MW472.54 g/mol
LogP3.66
Rot. Bonds6

About 3-(4-fluorophenyl)-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-1-methylpyrazole-5-carboxamide

3-(4-fluorophenyl)-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-1-methylpyrazole-5-carboxamide (PubChem CID 167968577) has the molecular formula C23H25FN4O4S and a molecular weight of 472.54 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-1-methylpyrazole-5-carboxamide
PubChem CID167968577
Molecular FormulaC23H25FN4O4S
Molecular Weight472.54 g/mol
Exact Mass472.16
IUPAC Name3-(4-fluorophenyl)-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-1-methylpyrazole-5-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1cc(-c2ccc(F)cc2)nn1C
InChIInChI=1S/C23H25FN4O4S/c1-27-21(15-19(26-27)16-6-8-17(24)9-7-16)23(29)25-20-14-18(10-11-22(20)32-2)33(30,31)28-12-4-3-5-13-28/h6-11,14-15H,3-5,12-13H2,1-2H3,(H,25,29)
InChIKeyXDQLDPUYPPVFCY-UHFFFAOYSA-N
XLogP3.66
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.54
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-fluoro-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)benzamide
CID 4799979
N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-1,6-dimethyl-2-oxopyridine-3-carboxamide
CID 46972391
2-(4-fluoroanilino)-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 9098686
4-(4-fluorophenyl)-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-4-oxobutanamide
CID 24636041
4-fluoro-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)benzenesulfonamide
CID 28565941
N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-3,5-dichlorobenzamide
CID 26206912
2-methoxy-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-5-methylbenzamide
CID 9046765
(E)-3-(4-fluorophenyl)-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)prop-2-enamide
CID 30393885
2-[(4-fluorophenyl)methylsulfanyl]-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 38010315
3,4,5-trimethoxy-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 99952849
N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 27209925
1-[5-(3-fluorophenyl)-1H-pyrazol-3-yl]-3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)urea
CID 166322668

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-1-methylpyrazole-5-carboxamide?
The IUPAC name of 3-(4-fluorophenyl)-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-1-methylpyrazole-5-carboxamide (CID 167968577) is 3-(4-fluorophenyl)-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-1-methylpyrazole-5-carboxamide is COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1cc(-c2ccc(F)cc2)nn1C.
What is the InChIKey of 3-(4-fluorophenyl)-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-1-methylpyrazole-5-carboxamide?
The InChIKey is XDQLDPUYPPVFCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O4S/c1-27-21(15-19(26-27)16-6-8-17(24)9-7-16)23(29)25-20-14-18(10-11-22(20)32-2)33(30,31)28-12-4-3-5-13-28/h6-11,14-15H,3-5,12-13H2,1-2H3,(H,25,29).
What are the key properties of 3-(4-fluorophenyl)-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-1-methylpyrazole-5-carboxamide?
3-(4-fluorophenyl)-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-1-methylpyrazole-5-carboxamide has a molecular weight of 472.54 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 167968577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).