(1-ethyl-5-methylpyrazol-4-yl)-[3-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-1-yl]methanone

C17H28N4O3S — CID 91921485

IUPAC(1-ethyl-5-methylpyrazol-4-yl)-[3-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-1-yl]methanone
SMILESCCn1ncc(C(=O)N2CCC(C3CCN(S(C)(=O)=O)CC3)C2)c1C
InChIInChI=1S/C17H28N4O3S/c1-4-21-13(2)16(11-18-21)17(22)19-8-5-15(12-19)14-6-9-20(10-7-14)25(3,23)24/h11,14-15H,4-10,12H2,1-3H3
InChIKeyQHHNHBLBCLZYFD-UHFFFAOYSA-N
MW368.50 g/mol
LogP1.35
Rot. Bonds4

About (1-ethyl-5-methylpyrazol-4-yl)-[3-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-1-yl]methanone

(1-ethyl-5-methylpyrazol-4-yl)-[3-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-1-yl]methanone (PubChem CID 91921485) has the molecular formula C17H28N4O3S and a molecular weight of 368.50 g/mol. Its IUPAC name is (1-ethyl-5-methylpyrazol-4-yl)-[3-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(1-ethyl-5-methylpyrazol-4-yl)-[3-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-1-yl]methanone
PubChem CID91921485
Molecular FormulaC17H28N4O3S
Molecular Weight368.50 g/mol
Exact Mass368.19
IUPAC Name(1-ethyl-5-methylpyrazol-4-yl)-[3-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-1-yl]methanone
SMILESCCn1ncc(C(=O)N2CCC(C3CCN(S(C)(=O)=O)CC3)C2)c1C
InChIInChI=1S/C17H28N4O3S/c1-4-21-13(2)16(11-18-21)17(22)19-8-5-15(12-19)14-6-9-20(10-7-14)25(3,23)24/h11,14-15H,4-10,12H2,1-3H3
InChIKeyQHHNHBLBCLZYFD-UHFFFAOYSA-N
XLogP1.35
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(1,5-Dimethylpyrazol-4-yl)-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone
CID 47027844
1-cyclopentyl-4-[(5-methyl-1-propyl-1H-pyrazol-4-yl)carbonyl]piperazine
CID 72837249
N-{rel-(3R,4S)-4-cyclopropyl-1-[2-(methylsulfonyl)ethyl]-3-pyrrolidinyl}-1,5-dimethyl-1H-pyrazole-4-carboxamide hydrochloride
CID 72901743
(1R*,5R*)-6-[(1,3-dimethyl-1H-pyrazol-4-yl)carbonyl]-N,N-dimethyl-3,6-diazabicyclo[3.2.2]nonane-3-sulfonamide
CID 133114118
1-[(3-methyl-1-propyl-1H-pyrazol-4-yl)carbonyl]-4-(1-pyrrolidinylsulfonyl)piperazine
CID 72855393
N-{4-[(Dimethylamino)methyl]-1-methanesulfonylpyrrolidin-3-YL}-1,3-dimethyl-1H-pyrazole-4-carboxamide
CID 91911097
(1-ethyl-5-methylpyrazol-4-yl)-[(1S,6R)-8-methylsulfonyl-3,8-diazabicyclo[4.2.0]octan-3-yl]methanone
CID 124044313
1,5-dimethyl-N-(1-methylsulfonylpiperidin-4-yl)pyrazole-4-carboxamide
CID 45808902
(1R,5R)-6-(1,3-dimethylpyrazole-4-carbonyl)-N,N-dimethyl-3,6-diazabicyclo[3.2.2]nonane-3-sulfonamide
CID 70755159
(3aR*,7aS*)-2-[(5-methyl-1-propyl-1H-pyrazol-4-yl)carbonyl]-2,3,3a,4,7,7a-hexahydro-1H-isoindole
CID 72876301
(1-Tert-butyl-3-methylpyrazol-4-yl)-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)methanone
CID 137982183
(1,3-dimethylpyrazol-4-yl)-[(3S)-3-piperidin-1-ylpyrrolidin-1-yl]methanone
CID 164630775

Frequently Asked Questions

What is the IUPAC name of (1-ethyl-5-methylpyrazol-4-yl)-[3-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of (1-ethyl-5-methylpyrazol-4-yl)-[3-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-1-yl]methanone (CID 91921485) is (1-ethyl-5-methylpyrazol-4-yl)-[3-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (1-ethyl-5-methylpyrazol-4-yl)-[3-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (1-ethyl-5-methylpyrazol-4-yl)-[3-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-1-yl]methanone is CCn1ncc(C(=O)N2CCC(C3CCN(S(C)(=O)=O)CC3)C2)c1C.
What is the InChIKey of (1-ethyl-5-methylpyrazol-4-yl)-[3-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-1-yl]methanone?
The InChIKey is QHHNHBLBCLZYFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O3S/c1-4-21-13(2)16(11-18-21)17(22)19-8-5-15(12-19)14-6-9-20(10-7-14)25(3,23)24/h11,14-15H,4-10,12H2,1-3H3.
What are the key properties of (1-ethyl-5-methylpyrazol-4-yl)-[3-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-1-yl]methanone?
(1-ethyl-5-methylpyrazol-4-yl)-[3-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-1-yl]methanone has a molecular weight of 368.50 g/mol, XLogP of 1.35, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethyl-5-methylpyrazol-4-yl)-[3-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 91921485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).