[2-(4-methylsulfonyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-(1,3-thiazol-5-yl)methanone

C12H14N4O3S2 — CID 155983170

IUPAC[2-(4-methylsulfonyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-(1,3-thiazol-5-yl)methanone
SMILESCS(=O)(=O)c1cn[nH]c1C1CCCN1C(=O)c1cncs1
InChIInChI=1S/C12H14N4O3S2/c1-21(18,19)10-6-14-15-11(10)8-3-2-4-16(8)12(17)9-5-13-7-20-9/h5-8H,2-4H2,1H3,(H,14,15)
InChIKeyNJYZFKFZNROXBC-UHFFFAOYSA-N
MW326.40 g/mol
LogP1.25
Rot. Bonds3

About [2-(4-methylsulfonyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-(1,3-thiazol-5-yl)methanone

[2-(4-methylsulfonyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-(1,3-thiazol-5-yl)methanone (PubChem CID 155983170) has the molecular formula C12H14N4O3S2 and a molecular weight of 326.40 g/mol. Its IUPAC name is [2-(4-methylsulfonyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-(1,3-thiazol-5-yl)methanone.

Molecular Properties

Compound Name[2-(4-methylsulfonyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-(1,3-thiazol-5-yl)methanone
PubChem CID155983170
Molecular FormulaC12H14N4O3S2
Molecular Weight326.40 g/mol
Exact Mass326.05
IUPAC Name[2-(4-methylsulfonyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-(1,3-thiazol-5-yl)methanone
SMILESCS(=O)(=O)c1cn[nH]c1C1CCCN1C(=O)c1cncs1
InChIInChI=1S/C12H14N4O3S2/c1-21(18,19)10-6-14-15-11(10)8-3-2-4-16(8)12(17)9-5-13-7-20-9/h5-8H,2-4H2,1H3,(H,14,15)
InChIKeyNJYZFKFZNROXBC-UHFFFAOYSA-N
XLogP1.25
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 127247379
[(2R)-2-(4-methylsulfonyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-(oxan-4-yl)methanone
CID 95848466
(5-methylpyrazin-2-yl)-[2-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 118741502
[3-(4-methyl-1H-pyrazol-5-yl)morpholin-4-yl]-(1,3-thiazol-5-yl)methanone
CID 110132537
1-[2-(4-methylsulfonyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-2-pyrazol-1-ylethanone
CID 110272293
[(2R)-2-(1H-pyrazol-5-yl)piperidin-1-yl]-(1,3-thiazol-5-yl)methanone
CID 124641151
(3-ethyl-1,2-oxazol-5-yl)-[2-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 127247377
2-[(2S)-2-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]ethanol
CID 124978760
[(2S)-2-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 95824408
[(3S)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]-thiophen-2-ylmethanone
CID 124945178
[(3R)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)morpholin-4-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 124968176
tert-butyl 3-methyl-1-(1,3-thiazole-5-carbonyl)piperidine-2-carboxylate
CID 126815735

Frequently Asked Questions

What is the IUPAC name of [2-(4-methylsulfonyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-(1,3-thiazol-5-yl)methanone?
The IUPAC name of [2-(4-methylsulfonyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-(1,3-thiazol-5-yl)methanone (CID 155983170) is [2-(4-methylsulfonyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-(1,3-thiazol-5-yl)methanone.
What is the SMILES notation for [2-(4-methylsulfonyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-(1,3-thiazol-5-yl)methanone?
The canonical SMILES for [2-(4-methylsulfonyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-(1,3-thiazol-5-yl)methanone is CS(=O)(=O)c1cn[nH]c1C1CCCN1C(=O)c1cncs1.
What is the InChIKey of [2-(4-methylsulfonyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-(1,3-thiazol-5-yl)methanone?
The InChIKey is NJYZFKFZNROXBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O3S2/c1-21(18,19)10-6-14-15-11(10)8-3-2-4-16(8)12(17)9-5-13-7-20-9/h5-8H,2-4H2,1H3,(H,14,15).
What are the key properties of [2-(4-methylsulfonyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-(1,3-thiazol-5-yl)methanone?
[2-(4-methylsulfonyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-(1,3-thiazol-5-yl)methanone has a molecular weight of 326.40 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methylsulfonyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-(1,3-thiazol-5-yl)methanone is sourced from PubChem (CID 155983170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).