[1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]-(4-ethylsulfonylpiperazin-1-yl)methanone

C16H28N4O3S — CID 50963890

IUPAC[1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]-(4-ethylsulfonylpiperazin-1-yl)methanone
SMILESCCn1nc(CC(C)C)cc1C(=O)N1CCN(S(=O)(=O)CC)CC1
InChIInChI=1S/C16H28N4O3S/c1-5-20-15(12-14(17-20)11-13(3)4)16(21)18-7-9-19(10-8-18)24(22,23)6-2/h12-13H,5-11H2,1-4H3
InChIKeyHRZFDEIFUXOODC-UHFFFAOYSA-N
MW356.49 g/mol
LogP1.21
Rot. Bonds6

About [1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]-(4-ethylsulfonylpiperazin-1-yl)methanone

[1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]-(4-ethylsulfonylpiperazin-1-yl)methanone (PubChem CID 50963890) has the molecular formula C16H28N4O3S and a molecular weight of 356.49 g/mol. Its IUPAC name is [1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]-(4-ethylsulfonylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]-(4-ethylsulfonylpiperazin-1-yl)methanone
PubChem CID50963890
Molecular FormulaC16H28N4O3S
Molecular Weight356.49 g/mol
Exact Mass356.19
IUPAC Name[1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]-(4-ethylsulfonylpiperazin-1-yl)methanone
SMILESCCn1nc(CC(C)C)cc1C(=O)N1CCN(S(=O)(=O)CC)CC1
InChIInChI=1S/C16H28N4O3S/c1-5-20-15(12-14(17-20)11-13(3)4)16(21)18-7-9-19(10-8-18)24(22,23)6-2/h12-13H,5-11H2,1-4H3
InChIKeyHRZFDEIFUXOODC-UHFFFAOYSA-N
XLogP1.21
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.49
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]-(4-ethylsulfonylpiperazin-1-yl)methanone 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

1-(2-tert-butyl-5-methylpyrazole-3-carbonyl)-N-cyclopropylsulfonyl-3-methylpiperidine-3-carboxamide
CID 46943199
1-(1-tert-butyl-5-methylpyrazole-3-carbonyl)-N-cyclopropylsulfonyl-3-methylpiperidine-3-carboxamide
CID 46943688
1-(3-tert-butyl-1-methylpyrazole-5-carbonyl)-3-methyl-N-propylsulfonylpyrrolidine-3-carboxamide
CID 49789376
1-(1-tert-butyl-5-methylpyrazole-3-carbonyl)-3-methyl-N-propylsulfonylpiperidine-3-carboxamide
CID 49789662
1-(3-tert-butyl-1-methylpyrazole-5-carbonyl)-N-cyclopropylsulfonyl-3-methylpiperidine-3-carboxamide
CID 49795550
1-methyl-3-propan-2-yl-N-[(1-propan-2-ylpiperidin-3-yl)methyl]pyrazole-5-carboxamide
CID 46963969
3-Cyclohexyl-1-[4-(2,5-dimethylpyrazole-3-carbonyl)piperazin-1-yl]propan-1-one
CID 47064401
1-(3-tert-butyl-1-methylpyrazole-5-carbonyl)-N-cyclopropylsulfonyl-3-methylpyrrolidine-3-carboxamide
CID 49789943
1-ethyl-3-isobutyl-N-[3-(4-morpholinyl)propyl]-1H-pyrazole-5-carboxamide
CID 70707303
N-{2-[(dimethylamino)sulfonyl]ethyl}-1-ethyl-3-isobutyl-1H-pyrazole-5-carboxamide
CID 70717468
1-{1-[(1-ethyl-3-isobutyl-1H-pyrazol-5-yl)carbonyl]-3-azetidinyl}-2-methylpiperidine
CID 70719918
N-{2-[ethyl(methyl)amino]butyl}-3-isobutyl-1-methyl-1H-pyrazole-5-carboxamide
CID 70730086

Frequently Asked Questions

What is the IUPAC name of [1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]-(4-ethylsulfonylpiperazin-1-yl)methanone?
The IUPAC name of [1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]-(4-ethylsulfonylpiperazin-1-yl)methanone (CID 50963890) is [1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]-(4-ethylsulfonylpiperazin-1-yl)methanone.
What is the SMILES notation for [1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]-(4-ethylsulfonylpiperazin-1-yl)methanone?
The canonical SMILES for [1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]-(4-ethylsulfonylpiperazin-1-yl)methanone is CCn1nc(CC(C)C)cc1C(=O)N1CCN(S(=O)(=O)CC)CC1.
What is the InChIKey of [1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]-(4-ethylsulfonylpiperazin-1-yl)methanone?
The InChIKey is HRZFDEIFUXOODC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O3S/c1-5-20-15(12-14(17-20)11-13(3)4)16(21)18-7-9-19(10-8-18)24(22,23)6-2/h12-13H,5-11H2,1-4H3.
What are the key properties of [1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]-(4-ethylsulfonylpiperazin-1-yl)methanone?
[1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]-(4-ethylsulfonylpiperazin-1-yl)methanone has a molecular weight of 356.49 g/mol, XLogP of 1.21, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]-(4-ethylsulfonylpiperazin-1-yl)methanone is sourced from PubChem (CID 50963890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).