[3-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone

C14H22N4O3S — CID 91921416

IUPAC[3-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone
SMILESCS(=O)(=O)N1CCC(C2CCN(C(=O)c3ccn[nH]3)C2)CC1
InChIInChI=1S/C14H22N4O3S/c1-22(20,21)18-8-4-11(5-9-18)12-3-7-17(10-12)14(19)13-2-6-15-16-13/h2,6,11-12H,3-5,7-10H2,1H3,(H,15,16)
InChIKeyIGUOMXGYCJAIGA-UHFFFAOYSA-N
MW326.42 g/mol
LogP0.54
Rot. Bonds3

About [3-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone

[3-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone (PubChem CID 91921416) has the molecular formula C14H22N4O3S and a molecular weight of 326.42 g/mol. Its IUPAC name is [3-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone.

Molecular Properties

Compound Name[3-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone
PubChem CID91921416
Molecular FormulaC14H22N4O3S
Molecular Weight326.42 g/mol
Exact Mass326.14
IUPAC Name[3-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone
SMILESCS(=O)(=O)N1CCC(C2CCN(C(=O)c3ccn[nH]3)C2)CC1
InChIInChI=1S/C14H22N4O3S/c1-22(20,21)18-8-4-11(5-9-18)12-3-7-17(10-12)14(19)13-2-6-15-16-13/h2,6,11-12H,3-5,7-10H2,1H3,(H,15,16)
InChIKeyIGUOMXGYCJAIGA-UHFFFAOYSA-N
XLogP0.54
TPSA86.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4aR*,7aS*)-1-propyl-4-(1H-pyrazol-3-ylcarbonyl)octahydrothieno[3,4-b]pyrazine 6,6-dioxide
CID 70735823
N-{rel-(3R,4S)-1-[2-(methylsulfonyl)ethyl]-4-propyl-3-pyrrolidinyl}-1H-pyrazole-3-carboxamide hydrochloride
CID 72925354
2-[(3aR,7aR)-2-(1H-pyrazole-5-carbonyl)-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-5-yl]-N-methylacetamide
CID 97402525
[(3aR,8aR)-2-ethyl-1,1-dioxo-3a,4,5,7,8,8a-hexahydro-3H-[1,2]thiazolo[4,5-d]azepin-6-yl]-(1H-pyrazol-5-yl)methanone
CID 97441070
1H-Pyrazole-3-carboxylic acid (methyl)(1,2,2,6,6-pentamethylpiperidin-4-yl)amide
CID 672567
N-[3-(2-methylpiperidin-1-yl)propyl]-1H-pyrazole-5-carboxamide
CID 53524109
N-[4-(Cyclopropylmethyl)-1-(1-methyl-1H-pyrazole-5-carbonyl)piperidin-4-YL]methanesulfonamide
CID 124076870
N-Methyl-N-(2,2,6,6-tetramethyl-4-piperidinyl)-1H-pyrazole-3-carboxamide
CID 686755
N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-1H-pyrazole-3-carboxamide
CID 1204953
N-ethyl-1-(1H-pyrazole-5-carbonyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 71998432
(3R)-N-ethyl-1-(1H-pyrazole-5-carbonyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 97574232
(3S)-N-ethyl-1-(1H-pyrazole-5-carbonyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 97574233

Frequently Asked Questions

What is the IUPAC name of [3-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone?
The IUPAC name of [3-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone (CID 91921416) is [3-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone.
What is the SMILES notation for [3-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone?
The canonical SMILES for [3-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone is CS(=O)(=O)N1CCC(C2CCN(C(=O)c3ccn[nH]3)C2)CC1.
What is the InChIKey of [3-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone?
The InChIKey is IGUOMXGYCJAIGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3S/c1-22(20,21)18-8-4-11(5-9-18)12-3-7-17(10-12)14(19)13-2-6-15-16-13/h2,6,11-12H,3-5,7-10H2,1H3,(H,15,16).
What are the key properties of [3-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone?
[3-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone has a molecular weight of 326.42 g/mol, XLogP of 0.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone is sourced from PubChem (CID 91921416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).