N-[(R)-[1-tert-butyl-5-(3-fluorophenyl)pyrazol-4-yl]-cyclopropylmethyl]-6-(trifluoromethyl)pyridine-3-sulfonamide

C23H24F4N4O2S — CID 58140239

IUPACN-[(R)-[1-tert-butyl-5-(3-fluorophenyl)pyrazol-4-yl]-cyclopropylmethyl]-6-(trifluoromethyl)pyridine-3-sulfonamide
SMILESCC(C)(C)n1ncc([C@H](NS(=O)(=O)c2ccc(C(F)(F)F)nc2)C2CC2)c1-c1cccc(F)c1
InChIInChI=1S/C23H24F4N4O2S/c1-22(2,3)31-21(15-5-4-6-16(24)11-15)18(13-29-31)20(14-7-8-14)30-34(32,33)17-9-10-19(28-12-17)23(25,26)27/h4-6,9-14,20,30H,7-8H2,1-3H3/t20-/m1/s1
InChIKeyAJUSBVZYGGNBAF-HXUWFJFHSA-N
MW496.53 g/mol
LogP5.29
Rot. Bonds6

About N-[(R)-[1-tert-butyl-5-(3-fluorophenyl)pyrazol-4-yl]-cyclopropylmethyl]-6-(trifluoromethyl)pyridine-3-sulfonamide

N-[(R)-[1-tert-butyl-5-(3-fluorophenyl)pyrazol-4-yl]-cyclopropylmethyl]-6-(trifluoromethyl)pyridine-3-sulfonamide (PubChem CID 58140239) has the molecular formula C23H24F4N4O2S and a molecular weight of 496.53 g/mol. Its IUPAC name is N-[(R)-[1-tert-butyl-5-(3-fluorophenyl)pyrazol-4-yl]-cyclopropylmethyl]-6-(trifluoromethyl)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[(R)-[1-tert-butyl-5-(3-fluorophenyl)pyrazol-4-yl]-cyclopropylmethyl]-6-(trifluoromethyl)pyridine-3-sulfonamide
PubChem CID58140239
Molecular FormulaC23H24F4N4O2S
Molecular Weight496.53 g/mol
Exact Mass496.16
IUPAC NameN-[(R)-[1-tert-butyl-5-(3-fluorophenyl)pyrazol-4-yl]-cyclopropylmethyl]-6-(trifluoromethyl)pyridine-3-sulfonamide
SMILESCC(C)(C)n1ncc([C@H](NS(=O)(=O)c2ccc(C(F)(F)F)nc2)C2CC2)c1-c1cccc(F)c1
InChIInChI=1S/C23H24F4N4O2S/c1-22(2,3)31-21(15-5-4-6-16(24)11-15)18(13-29-31)20(14-7-8-14)30-34(32,33)17-9-10-19(28-12-17)23(25,26)27/h4-6,9-14,20,30H,7-8H2,1-3H3/t20-/m1/s1
InChIKeyAJUSBVZYGGNBAF-HXUWFJFHSA-N
XLogP5.29
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.53
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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(4S,6R)-4,6-dicyclopropyl-7,7-difluoro-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-4,6-dihydro-1H-pyrazolo[4,5-c]pyridine
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Frequently Asked Questions

What is the IUPAC name of N-[(R)-[1-tert-butyl-5-(3-fluorophenyl)pyrazol-4-yl]-cyclopropylmethyl]-6-(trifluoromethyl)pyridine-3-sulfonamide?
The IUPAC name of N-[(R)-[1-tert-butyl-5-(3-fluorophenyl)pyrazol-4-yl]-cyclopropylmethyl]-6-(trifluoromethyl)pyridine-3-sulfonamide (CID 58140239) is N-[(R)-[1-tert-butyl-5-(3-fluorophenyl)pyrazol-4-yl]-cyclopropylmethyl]-6-(trifluoromethyl)pyridine-3-sulfonamide.
What is the SMILES notation for N-[(R)-[1-tert-butyl-5-(3-fluorophenyl)pyrazol-4-yl]-cyclopropylmethyl]-6-(trifluoromethyl)pyridine-3-sulfonamide?
The canonical SMILES for N-[(R)-[1-tert-butyl-5-(3-fluorophenyl)pyrazol-4-yl]-cyclopropylmethyl]-6-(trifluoromethyl)pyridine-3-sulfonamide is CC(C)(C)n1ncc([C@H](NS(=O)(=O)c2ccc(C(F)(F)F)nc2)C2CC2)c1-c1cccc(F)c1.
What is the InChIKey of N-[(R)-[1-tert-butyl-5-(3-fluorophenyl)pyrazol-4-yl]-cyclopropylmethyl]-6-(trifluoromethyl)pyridine-3-sulfonamide?
The InChIKey is AJUSBVZYGGNBAF-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H24F4N4O2S/c1-22(2,3)31-21(15-5-4-6-16(24)11-15)18(13-29-31)20(14-7-8-14)30-34(32,33)17-9-10-19(28-12-17)23(25,26)27/h4-6,9-14,20,30H,7-8H2,1-3H3/t20-/m1/s1.
What are the key properties of N-[(R)-[1-tert-butyl-5-(3-fluorophenyl)pyrazol-4-yl]-cyclopropylmethyl]-6-(trifluoromethyl)pyridine-3-sulfonamide?
N-[(R)-[1-tert-butyl-5-(3-fluorophenyl)pyrazol-4-yl]-cyclopropylmethyl]-6-(trifluoromethyl)pyridine-3-sulfonamide has a molecular weight of 496.53 g/mol, XLogP of 5.29, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-[1-tert-butyl-5-(3-fluorophenyl)pyrazol-4-yl]-cyclopropylmethyl]-6-(trifluoromethyl)pyridine-3-sulfonamide is sourced from PubChem (CID 58140239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).