1-propan-2-yl-N-(4-pyrazol-1-ylphenyl)pyrazole-4-sulfonamide

C15H17N5O2S — CID 71688270

IUPAC1-propan-2-yl-N-(4-pyrazol-1-ylphenyl)pyrazole-4-sulfonamide
SMILESCC(C)n1cc(S(=O)(=O)Nc2ccc(-n3cccn3)cc2)cn1
InChIInChI=1S/C15H17N5O2S/c1-12(2)20-11-15(10-17-20)23(21,22)18-13-4-6-14(7-5-13)19-9-3-8-16-19/h3-12,18H,1-2H3
InChIKeyFMHYIMLLVXKJCD-UHFFFAOYSA-N
MW331.40 g/mol
LogP2.45
Rot. Bonds5

About 1-propan-2-yl-N-(4-pyrazol-1-ylphenyl)pyrazole-4-sulfonamide

1-propan-2-yl-N-(4-pyrazol-1-ylphenyl)pyrazole-4-sulfonamide (PubChem CID 71688270) has the molecular formula C15H17N5O2S and a molecular weight of 331.40 g/mol. Its IUPAC name is 1-propan-2-yl-N-(4-pyrazol-1-ylphenyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-propan-2-yl-N-(4-pyrazol-1-ylphenyl)pyrazole-4-sulfonamide
PubChem CID71688270
Molecular FormulaC15H17N5O2S
Molecular Weight331.40 g/mol
Exact Mass331.11
IUPAC Name1-propan-2-yl-N-(4-pyrazol-1-ylphenyl)pyrazole-4-sulfonamide
SMILESCC(C)n1cc(S(=O)(=O)Nc2ccc(-n3cccn3)cc2)cn1
InChIInChI=1S/C15H17N5O2S/c1-12(2)20-11-15(10-17-20)23(21,22)18-13-4-6-14(7-5-13)19-9-3-8-16-19/h3-12,18H,1-2H3
InChIKeyFMHYIMLLVXKJCD-UHFFFAOYSA-N
XLogP2.45
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-chlorophenyl)-1-propan-2-ylpyrazole-4-sulfonamide
CID 71688376
N-(4-methoxyphenyl)-1-propan-2-ylpyrazole-4-sulfonamide
CID 71688314
N-(4-pyrazol-1-ylphenyl)propane-2-sulfonamide
CID 62999857
1-propan-2-yl-N-[4-(trifluoromethoxy)phenyl]pyrazole-4-sulfonamide
CID 71688373
N-(2-methoxypyrimidin-5-yl)-4-pyrazol-1-ylbenzenesulfonamide
CID 122301720
3-chloro-N-(4-pyrazol-1-ylphenyl)benzenesulfonamide
CID 31913171
N-(2-methylpyrazol-3-yl)-1-propan-2-ylpyrazole-4-sulfonamide
CID 139011594
N-(6-bromo-2-pyridinyl)-1-propan-2-ylpyrazole-4-sulfonamide
CID 71993033
N-methyl-1-propan-2-ylpyrazole-4-sulfonamide
CID 71688421
N-(2,3-dimethylphenyl)-1-propan-2-ylpyrazole-4-sulfonamide
CID 71688335
N-(4-bromo-3-methylphenyl)-4-pyrazol-1-ylbenzenesulfonamide
CID 20914800
4-pyrazol-1-yl-N-[4-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]benzenesulfonamide
CID 122290772

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-N-(4-pyrazol-1-ylphenyl)pyrazole-4-sulfonamide?
The IUPAC name of 1-propan-2-yl-N-(4-pyrazol-1-ylphenyl)pyrazole-4-sulfonamide (CID 71688270) is 1-propan-2-yl-N-(4-pyrazol-1-ylphenyl)pyrazole-4-sulfonamide.
What is the SMILES notation for 1-propan-2-yl-N-(4-pyrazol-1-ylphenyl)pyrazole-4-sulfonamide?
The canonical SMILES for 1-propan-2-yl-N-(4-pyrazol-1-ylphenyl)pyrazole-4-sulfonamide is CC(C)n1cc(S(=O)(=O)Nc2ccc(-n3cccn3)cc2)cn1.
What is the InChIKey of 1-propan-2-yl-N-(4-pyrazol-1-ylphenyl)pyrazole-4-sulfonamide?
The InChIKey is FMHYIMLLVXKJCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O2S/c1-12(2)20-11-15(10-17-20)23(21,22)18-13-4-6-14(7-5-13)19-9-3-8-16-19/h3-12,18H,1-2H3.
What are the key properties of 1-propan-2-yl-N-(4-pyrazol-1-ylphenyl)pyrazole-4-sulfonamide?
1-propan-2-yl-N-(4-pyrazol-1-ylphenyl)pyrazole-4-sulfonamide has a molecular weight of 331.40 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-N-(4-pyrazol-1-ylphenyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 71688270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).