1-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]-2-(4-nitropyrazol-1-yl)propan-1-one

C14H19N7O5S — CID 19536167

IUPAC1-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]-2-(4-nitropyrazol-1-yl)propan-1-one
SMILESCC(C(=O)N1CCN(S(=O)(=O)c2cnn(C)c2)CC1)n1cc([N+](=O)[O-])cn1
InChIInChI=1S/C14H19N7O5S/c1-11(20-9-12(7-16-20)21(23)24)14(22)18-3-5-19(6-4-18)27(25,26)13-8-15-17(2)10-13/h7-11H,3-6H2,1-2H3
InChIKeyWUKAJIUMOXYUJG-UHFFFAOYSA-N
MW397.42 g/mol
LogP-0.38
Rot. Bonds5

About 1-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]-2-(4-nitropyrazol-1-yl)propan-1-one

1-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]-2-(4-nitropyrazol-1-yl)propan-1-one (PubChem CID 19536167) has the molecular formula C14H19N7O5S and a molecular weight of 397.42 g/mol. Its IUPAC name is 1-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]-2-(4-nitropyrazol-1-yl)propan-1-one.

Molecular Properties

Compound Name1-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]-2-(4-nitropyrazol-1-yl)propan-1-one
PubChem CID19536167
Molecular FormulaC14H19N7O5S
Molecular Weight397.42 g/mol
Exact Mass397.12
IUPAC Name1-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]-2-(4-nitropyrazol-1-yl)propan-1-one
SMILESCC(C(=O)N1CCN(S(=O)(=O)c2cnn(C)c2)CC1)n1cc([N+](=O)[O-])cn1
InChIInChI=1S/C14H19N7O5S/c1-11(20-9-12(7-16-20)21(23)24)14(22)18-3-5-19(6-4-18)27(25,26)13-8-15-17(2)10-13/h7-11H,3-6H2,1-2H3
InChIKeyWUKAJIUMOXYUJG-UHFFFAOYSA-N
XLogP-0.38
TPSA136.47 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.42
LogP ≤ 5-0.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]-2-(4-nitropyrazol-1-yl)propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-methoxy-4-nitropyrazol-1-yl)-1-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]propan-1-one
CID 19536119
2-(5-methyl-4-nitropyrazol-1-yl)-1-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]propan-1-one
CID 19536645
1-[4-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]-2-(4-nitropyrazol-1-yl)propan-1-one
CID 19536170
1-[4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-2-(4-nitropyrazol-1-yl)propan-1-one
CID 19536164
1-[1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-1-oxopropan-2-yl]pyrazole-4-carboxylic acid
CID 19470992
1-[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-2-(3-methoxy-4-nitropyrazol-1-yl)propan-1-one
CID 19536121
4-(azetidin-1-ylsulfonyl)-1-methylpyrazole
CID 141430347
1-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]-2-pyrazol-1-ylpropan-1-one
CID 134048474
(3-methoxyphenyl)-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone
CID 55905760
(2S)-1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-(4-nitrophenoxy)propan-1-one
CID 42561110
N-ethyl-2-(4-nitropyrazol-1-yl)propanamide
CID 19534268
1-(aziridin-1-yl)-2-(4-bromopyrazol-1-yl)propan-1-one
CID 130734809

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]-2-(4-nitropyrazol-1-yl)propan-1-one?
The IUPAC name of 1-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]-2-(4-nitropyrazol-1-yl)propan-1-one (CID 19536167) is 1-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]-2-(4-nitropyrazol-1-yl)propan-1-one.
What is the SMILES notation for 1-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]-2-(4-nitropyrazol-1-yl)propan-1-one?
The canonical SMILES for 1-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]-2-(4-nitropyrazol-1-yl)propan-1-one is CC(C(=O)N1CCN(S(=O)(=O)c2cnn(C)c2)CC1)n1cc([N+](=O)[O-])cn1.
What is the InChIKey of 1-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]-2-(4-nitropyrazol-1-yl)propan-1-one?
The InChIKey is WUKAJIUMOXYUJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N7O5S/c1-11(20-9-12(7-16-20)21(23)24)14(22)18-3-5-19(6-4-18)27(25,26)13-8-15-17(2)10-13/h7-11H,3-6H2,1-2H3.
What are the key properties of 1-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]-2-(4-nitropyrazol-1-yl)propan-1-one?
1-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]-2-(4-nitropyrazol-1-yl)propan-1-one has a molecular weight of 397.42 g/mol, XLogP of -0.38, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]-2-(4-nitropyrazol-1-yl)propan-1-one is sourced from PubChem (CID 19536167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).