N-[[4-[3-(trifluoromethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-1-yl]phenyl]methyl]methanesulfonamide

C15H16F3N3O3S — CID 24952672

IUPACN-[[4-[3-(trifluoromethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-1-yl]phenyl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NCc1ccc(-n2nc(C(F)(F)F)c3c2COCC3)cc1
InChIInChI=1S/C15H16F3N3O3S/c1-25(22,23)19-8-10-2-4-11(5-3-10)21-13-9-24-7-6-12(13)14(20-21)15(16,17)18/h2-5,19H,6-9H2,1H3
InChIKeyIADFBPWQTMFCJY-UHFFFAOYSA-N
MW375.37 g/mol
LogP2.01
Rot. Bonds4

About N-[[4-[3-(trifluoromethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-1-yl]phenyl]methyl]methanesulfonamide

N-[[4-[3-(trifluoromethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-1-yl]phenyl]methyl]methanesulfonamide (PubChem CID 24952672) has the molecular formula C15H16F3N3O3S and a molecular weight of 375.37 g/mol. Its IUPAC name is N-[[4-[3-(trifluoromethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-1-yl]phenyl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[4-[3-(trifluoromethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-1-yl]phenyl]methyl]methanesulfonamide
PubChem CID24952672
Molecular FormulaC15H16F3N3O3S
Molecular Weight375.37 g/mol
Exact Mass375.09
IUPAC NameN-[[4-[3-(trifluoromethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-1-yl]phenyl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NCc1ccc(-n2nc(C(F)(F)F)c3c2COCC3)cc1
InChIInChI=1S/C15H16F3N3O3S/c1-25(22,23)19-8-10-2-4-11(5-3-10)21-13-9-24-7-6-12(13)14(20-21)15(16,17)18/h2-5,19H,6-9H2,1H3
InChIKeyIADFBPWQTMFCJY-UHFFFAOYSA-N
XLogP2.01
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.37
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[3-(trifluoromethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-1-yl]phenyl]methyl]methanesulfonamide?
The IUPAC name of N-[[4-[3-(trifluoromethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-1-yl]phenyl]methyl]methanesulfonamide (CID 24952672) is N-[[4-[3-(trifluoromethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-1-yl]phenyl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[4-[3-(trifluoromethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-1-yl]phenyl]methyl]methanesulfonamide?
The canonical SMILES for N-[[4-[3-(trifluoromethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-1-yl]phenyl]methyl]methanesulfonamide is CS(=O)(=O)NCc1ccc(-n2nc(C(F)(F)F)c3c2COCC3)cc1.
What is the InChIKey of N-[[4-[3-(trifluoromethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-1-yl]phenyl]methyl]methanesulfonamide?
The InChIKey is IADFBPWQTMFCJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3O3S/c1-25(22,23)19-8-10-2-4-11(5-3-10)21-13-9-24-7-6-12(13)14(20-21)15(16,17)18/h2-5,19H,6-9H2,1H3.
What are the key properties of N-[[4-[3-(trifluoromethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-1-yl]phenyl]methyl]methanesulfonamide?
N-[[4-[3-(trifluoromethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-1-yl]phenyl]methyl]methanesulfonamide has a molecular weight of 375.37 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[3-(trifluoromethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-1-yl]phenyl]methyl]methanesulfonamide is sourced from PubChem (CID 24952672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).