6-[4-(benzenesulfonyl)-3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxamide

C21H19F3N4O4S — CID 153410276

IUPAC6-[4-(benzenesulfonyl)-3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxamide
SMILESNC(=O)c1ccc(-n2cc(S(=O)(=O)c3ccccc3)c(OCCC3(C(F)(F)F)CC3)n2)nc1
InChIInChI=1S/C21H19F3N4O4S/c22-21(23,24)20(8-9-20)10-11-32-19-16(33(30,31)15-4-2-1-3-5-15)13-28(27-19)17-7-6-14(12-26-17)18(25)29/h1-7,12-13H,8-11H2,(H2,25,29)
InChIKeyJDNSEPDXDBHBJQ-UHFFFAOYSA-N
MW480.47 g/mol
LogP3.31
Rot. Bonds8

About 6-[4-(benzenesulfonyl)-3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxamide

6-[4-(benzenesulfonyl)-3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxamide (PubChem CID 153410276) has the molecular formula C21H19F3N4O4S and a molecular weight of 480.47 g/mol. Its IUPAC name is 6-[4-(benzenesulfonyl)-3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[4-(benzenesulfonyl)-3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxamide
PubChem CID153410276
Molecular FormulaC21H19F3N4O4S
Molecular Weight480.47 g/mol
Exact Mass480.11
IUPAC Name6-[4-(benzenesulfonyl)-3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxamide
SMILESNC(=O)c1ccc(-n2cc(S(=O)(=O)c3ccccc3)c(OCCC3(C(F)(F)F)CC3)n2)nc1
InChIInChI=1S/C21H19F3N4O4S/c22-21(23,24)20(8-9-20)10-11-32-19-16(33(30,31)15-4-2-1-3-5-15)13-28(27-19)17-7-6-14(12-26-17)18(25)29/h1-7,12-13H,8-11H2,(H2,25,29)
InChIKeyJDNSEPDXDBHBJQ-UHFFFAOYSA-N
XLogP3.31
TPSA117.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.47
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(benzenesulfonyl)-3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxamide?
The IUPAC name of 6-[4-(benzenesulfonyl)-3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxamide (CID 153410276) is 6-[4-(benzenesulfonyl)-3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for 6-[4-(benzenesulfonyl)-3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxamide?
The canonical SMILES for 6-[4-(benzenesulfonyl)-3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxamide is NC(=O)c1ccc(-n2cc(S(=O)(=O)c3ccccc3)c(OCCC3(C(F)(F)F)CC3)n2)nc1.
What is the InChIKey of 6-[4-(benzenesulfonyl)-3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxamide?
The InChIKey is JDNSEPDXDBHBJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F3N4O4S/c22-21(23,24)20(8-9-20)10-11-32-19-16(33(30,31)15-4-2-1-3-5-15)13-28(27-19)17-7-6-14(12-26-17)18(25)29/h1-7,12-13H,8-11H2,(H2,25,29).
What are the key properties of 6-[4-(benzenesulfonyl)-3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxamide?
6-[4-(benzenesulfonyl)-3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxamide has a molecular weight of 480.47 g/mol, XLogP of 3.31, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(benzenesulfonyl)-3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 153410276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).