N-[5-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)-2,3-dihydro-1H-inden-1-yl]propane-2-sulfonamide

C26H26N4O2S — CID 51353324

IUPACN-[5-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)-2,3-dihydro-1H-inden-1-yl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NC1CCc2cc(-c3cn(-c4ccccc4)nc3-c3ccncc3)ccc21
InChIInChI=1S/C26H26N4O2S/c1-18(2)33(31,32)29-25-11-9-20-16-21(8-10-23(20)25)24-17-30(22-6-4-3-5-7-22)28-26(24)19-12-14-27-15-13-19/h3-8,10,12-18,25,29H,9,11H2,1-2H3
InChIKeyGZBMVADOQYGNAY-UHFFFAOYSA-N
MW458.59 g/mol
LogP4.92
Rot. Bonds6

About N-[5-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)-2,3-dihydro-1H-inden-1-yl]propane-2-sulfonamide

N-[5-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)-2,3-dihydro-1H-inden-1-yl]propane-2-sulfonamide (PubChem CID 51353324) has the molecular formula C26H26N4O2S and a molecular weight of 458.59 g/mol. Its IUPAC name is N-[5-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)-2,3-dihydro-1H-inden-1-yl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[5-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)-2,3-dihydro-1H-inden-1-yl]propane-2-sulfonamide
PubChem CID51353324
Molecular FormulaC26H26N4O2S
Molecular Weight458.59 g/mol
Exact Mass458.18
IUPAC NameN-[5-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)-2,3-dihydro-1H-inden-1-yl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NC1CCc2cc(-c3cn(-c4ccccc4)nc3-c3ccncc3)ccc21
InChIInChI=1S/C26H26N4O2S/c1-18(2)33(31,32)29-25-11-9-20-16-21(8-10-23(20)25)24-17-30(22-6-4-3-5-7-22)28-26(24)19-12-14-27-15-13-19/h3-8,10,12-18,25,29H,9,11H2,1-2H3
InChIKeyGZBMVADOQYGNAY-UHFFFAOYSA-N
XLogP4.92
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.59
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)phenyl]propane-2-sulfonamide
CID 51353259
[4-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)phenyl]methanesulfonamide
CID 51353320
1,1,1-trifluoro-N-[4-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)phenyl]methanesulfonamide
CID 51353260
N-[[4-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)phenyl]methyl]propane-1-sulfonamide
CID 51352613
N-[4-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)phenyl]butane-1-sulfonamide
CID 51352682
1,3,4-triphenylpyrazole
CID 555882
N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]ethanesulfonamide
CID 48947247
N-[5-[(2-chlorophenoxy)methyl]-2,3-dihydro-1H-inden-1-yl]propane-2-sulfonamide
CID 70223409
3-(1,3-diphenylpyrazol-4-yl)pyridine
CID 166447662
4-(3-methoxyphenyl)-1,3-diphenylpyrazole
CID 166447646
4-(4-bromo-1-phenylpyrazol-3-yl)pyridine
CID 67295632
N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]cyclobutanamine
CID 119125462

Frequently Asked Questions

What is the IUPAC name of N-[5-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)-2,3-dihydro-1H-inden-1-yl]propane-2-sulfonamide?
The IUPAC name of N-[5-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)-2,3-dihydro-1H-inden-1-yl]propane-2-sulfonamide (CID 51353324) is N-[5-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)-2,3-dihydro-1H-inden-1-yl]propane-2-sulfonamide.
What is the SMILES notation for N-[5-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)-2,3-dihydro-1H-inden-1-yl]propane-2-sulfonamide?
The canonical SMILES for N-[5-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)-2,3-dihydro-1H-inden-1-yl]propane-2-sulfonamide is CC(C)S(=O)(=O)NC1CCc2cc(-c3cn(-c4ccccc4)nc3-c3ccncc3)ccc21.
What is the InChIKey of N-[5-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)-2,3-dihydro-1H-inden-1-yl]propane-2-sulfonamide?
The InChIKey is GZBMVADOQYGNAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O2S/c1-18(2)33(31,32)29-25-11-9-20-16-21(8-10-23(20)25)24-17-30(22-6-4-3-5-7-22)28-26(24)19-12-14-27-15-13-19/h3-8,10,12-18,25,29H,9,11H2,1-2H3.
What are the key properties of N-[5-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)-2,3-dihydro-1H-inden-1-yl]propane-2-sulfonamide?
N-[5-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)-2,3-dihydro-1H-inden-1-yl]propane-2-sulfonamide has a molecular weight of 458.59 g/mol, XLogP of 4.92, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)-2,3-dihydro-1H-inden-1-yl]propane-2-sulfonamide is sourced from PubChem (CID 51353324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).