N-[2-(5-cyclopropyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-1-(2-fluorophenyl)methanesulfonamide

C19H20FN3O2S2 — CID 72718652

IUPACN-[2-(5-cyclopropyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-1-(2-fluorophenyl)methanesulfonamide
SMILESO=S(=O)(Cc1ccccc1F)NCCn1nc(-c2cccs2)cc1C1CC1
InChIInChI=1S/C19H20FN3O2S2/c20-16-5-2-1-4-15(16)13-27(24,25)21-9-10-23-18(14-7-8-14)12-17(22-23)19-6-3-11-26-19/h1-6,11-12,14,21H,7-10,13H2
InChIKeyRZUBCXASRVDDSQ-UHFFFAOYSA-N
MW405.52 g/mol
LogP3.75
Rot. Bonds8

About N-[2-(5-cyclopropyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-1-(2-fluorophenyl)methanesulfonamide

N-[2-(5-cyclopropyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-1-(2-fluorophenyl)methanesulfonamide (PubChem CID 72718652) has the molecular formula C19H20FN3O2S2 and a molecular weight of 405.52 g/mol. Its IUPAC name is N-[2-(5-cyclopropyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-1-(2-fluorophenyl)methanesulfonamide.

Molecular Properties

Compound NameN-[2-(5-cyclopropyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-1-(2-fluorophenyl)methanesulfonamide
PubChem CID72718652
Molecular FormulaC19H20FN3O2S2
Molecular Weight405.52 g/mol
Exact Mass405.10
IUPAC NameN-[2-(5-cyclopropyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-1-(2-fluorophenyl)methanesulfonamide
SMILESO=S(=O)(Cc1ccccc1F)NCCn1nc(-c2cccs2)cc1C1CC1
InChIInChI=1S/C19H20FN3O2S2/c20-16-5-2-1-4-15(16)13-27(24,25)21-9-10-23-18(14-7-8-14)12-17(22-23)19-6-3-11-26-19/h1-6,11-12,14,21H,7-10,13H2
InChIKeyRZUBCXASRVDDSQ-UHFFFAOYSA-N
XLogP3.75
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.52
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-cyclopropyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-1-(2-fluorophenyl)methanesulfonamide?
The IUPAC name of N-[2-(5-cyclopropyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-1-(2-fluorophenyl)methanesulfonamide (CID 72718652) is N-[2-(5-cyclopropyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-1-(2-fluorophenyl)methanesulfonamide.
What is the SMILES notation for N-[2-(5-cyclopropyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-1-(2-fluorophenyl)methanesulfonamide?
The canonical SMILES for N-[2-(5-cyclopropyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-1-(2-fluorophenyl)methanesulfonamide is O=S(=O)(Cc1ccccc1F)NCCn1nc(-c2cccs2)cc1C1CC1.
What is the InChIKey of N-[2-(5-cyclopropyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-1-(2-fluorophenyl)methanesulfonamide?
The InChIKey is RZUBCXASRVDDSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O2S2/c20-16-5-2-1-4-15(16)13-27(24,25)21-9-10-23-18(14-7-8-14)12-17(22-23)19-6-3-11-26-19/h1-6,11-12,14,21H,7-10,13H2.
What are the key properties of N-[2-(5-cyclopropyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-1-(2-fluorophenyl)methanesulfonamide?
N-[2-(5-cyclopropyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-1-(2-fluorophenyl)methanesulfonamide has a molecular weight of 405.52 g/mol, XLogP of 3.75, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-cyclopropyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-1-(2-fluorophenyl)methanesulfonamide is sourced from PubChem (CID 72718652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).