1-[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-2-methyl-3-(5-methyl-3-nitropyrazol-1-yl)propan-1-one

C17H25N7O5S — CID 19540353

IUPAC1-[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-2-methyl-3-(5-methyl-3-nitropyrazol-1-yl)propan-1-one
SMILESCc1c(S(=O)(=O)N2CCN(C(=O)C(C)Cn3nc([N+](=O)[O-])cc3C)CC2)cnn1C
InChIInChI=1S/C17H25N7O5S/c1-12(11-23-13(2)9-16(19-23)24(26)27)17(25)21-5-7-22(8-6-21)30(28,29)15-10-18-20(4)14(15)3/h9-10,12H,5-8,11H2,1-4H3
InChIKeyCFOVYZAGJZRQNY-UHFFFAOYSA-N
MW439.50 g/mol
LogP0.31
Rot. Bonds6

About 1-[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-2-methyl-3-(5-methyl-3-nitropyrazol-1-yl)propan-1-one

1-[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-2-methyl-3-(5-methyl-3-nitropyrazol-1-yl)propan-1-one (PubChem CID 19540353) has the molecular formula C17H25N7O5S and a molecular weight of 439.50 g/mol. Its IUPAC name is 1-[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-2-methyl-3-(5-methyl-3-nitropyrazol-1-yl)propan-1-one.

Molecular Properties

Compound Name1-[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-2-methyl-3-(5-methyl-3-nitropyrazol-1-yl)propan-1-one
PubChem CID19540353
Molecular FormulaC17H25N7O5S
Molecular Weight439.50 g/mol
Exact Mass439.16
IUPAC Name1-[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-2-methyl-3-(5-methyl-3-nitropyrazol-1-yl)propan-1-one
SMILESCc1c(S(=O)(=O)N2CCN(C(=O)C(C)Cn3nc([N+](=O)[O-])cc3C)CC2)cnn1C
InChIInChI=1S/C17H25N7O5S/c1-12(11-23-13(2)9-16(19-23)24(26)27)17(25)21-5-7-22(8-6-21)30(28,29)15-10-18-20(4)14(15)3/h9-10,12H,5-8,11H2,1-4H3
InChIKeyCFOVYZAGJZRQNY-UHFFFAOYSA-N
XLogP0.31
TPSA136.47 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.50
LogP ≤ 50.31
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-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-2-methyl-3-(5-methyl-3-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

(2S)-2-methyl-3-(5-methyl-3-nitropyrazol-1-yl)-1-morpholin-4-ylpropan-1-one
CID 51391159
1-[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-2-(3-methoxy-4-nitropyrazol-1-yl)propan-1-one
CID 19536121
(1,3-dimethyl-4-nitropyrazol-5-yl)-[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone
CID 19479040
1-[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propan-1-one
CID 19536217
1,4-bis[(1,5-dimethylpyrazol-4-yl)sulfonyl]piperazine
CID 19582904
1-[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-2-(4-nitropyrazol-1-yl)ethanone
CID 19531348
2-(4-chloro-5-methylpyrazol-1-yl)-1-[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]propan-1-one
CID 19536432
2-methyl-3-(5-methyl-3-nitropyrazol-1-yl)-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]propanamide
CID 19283212
1-[4-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]-3-(5-methyl-3-nitropyrazol-1-yl)propan-1-one
CID 19560308
N-[3-(4-bromopyrazol-1-yl)propyl]-2-methyl-3-(5-methyl-3-nitropyrazol-1-yl)propanamide
CID 19297612
2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]propan-1-one
CID 19536241
N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-2-methyl-3-(5-methyl-3-nitropyrazol-1-yl)propanamide
CID 19568316

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-2-methyl-3-(5-methyl-3-nitropyrazol-1-yl)propan-1-one?
The IUPAC name of 1-[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-2-methyl-3-(5-methyl-3-nitropyrazol-1-yl)propan-1-one (CID 19540353) is 1-[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-2-methyl-3-(5-methyl-3-nitropyrazol-1-yl)propan-1-one.
What is the SMILES notation for 1-[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-2-methyl-3-(5-methyl-3-nitropyrazol-1-yl)propan-1-one?
The canonical SMILES for 1-[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-2-methyl-3-(5-methyl-3-nitropyrazol-1-yl)propan-1-one is Cc1c(S(=O)(=O)N2CCN(C(=O)C(C)Cn3nc([N+](=O)[O-])cc3C)CC2)cnn1C.
What is the InChIKey of 1-[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-2-methyl-3-(5-methyl-3-nitropyrazol-1-yl)propan-1-one?
The InChIKey is CFOVYZAGJZRQNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N7O5S/c1-12(11-23-13(2)9-16(19-23)24(26)27)17(25)21-5-7-22(8-6-21)30(28,29)15-10-18-20(4)14(15)3/h9-10,12H,5-8,11H2,1-4H3.
What are the key properties of 1-[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-2-methyl-3-(5-methyl-3-nitropyrazol-1-yl)propan-1-one?
1-[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-2-methyl-3-(5-methyl-3-nitropyrazol-1-yl)propan-1-one has a molecular weight of 439.50 g/mol, XLogP of 0.31, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-2-methyl-3-(5-methyl-3-nitropyrazol-1-yl)propan-1-one is sourced from PubChem (CID 19540353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).