1-[5-[(2R)-2-(1H-pyrazol-5-yl)pyrrolidine-1-carbonyl]thiophen-3-yl]ethanone

C14H15N3O2S — CID 99801050

IUPAC1-[5-[(2R)-2-(1H-pyrazol-5-yl)pyrrolidine-1-carbonyl]thiophen-3-yl]ethanone
SMILESCC(=O)c1csc(C(=O)N2CCC[C@@H]2c2ccn[nH]2)c1
InChIInChI=1S/C14H15N3O2S/c1-9(18)10-7-13(20-8-10)14(19)17-6-2-3-12(17)11-4-5-15-16-11/h4-5,7-8,12H,2-3,6H2,1H3,(H,15,16)/t12-/m1/s1
InChIKeyHYVALGAGCIAVHQ-GFCCVEGCSA-N
MW289.36 g/mol
LogP2.65
Rot. Bonds3

About 1-[5-[(2R)-2-(1H-pyrazol-5-yl)pyrrolidine-1-carbonyl]thiophen-3-yl]ethanone

1-[5-[(2R)-2-(1H-pyrazol-5-yl)pyrrolidine-1-carbonyl]thiophen-3-yl]ethanone (PubChem CID 99801050) has the molecular formula C14H15N3O2S and a molecular weight of 289.36 g/mol. Its IUPAC name is 1-[5-[(2R)-2-(1H-pyrazol-5-yl)pyrrolidine-1-carbonyl]thiophen-3-yl]ethanone.

Molecular Properties

Compound Name1-[5-[(2R)-2-(1H-pyrazol-5-yl)pyrrolidine-1-carbonyl]thiophen-3-yl]ethanone
PubChem CID99801050
Molecular FormulaC14H15N3O2S
Molecular Weight289.36 g/mol
Exact Mass289.09
IUPAC Name1-[5-[(2R)-2-(1H-pyrazol-5-yl)pyrrolidine-1-carbonyl]thiophen-3-yl]ethanone
SMILESCC(=O)c1csc(C(=O)N2CCC[C@@H]2c2ccn[nH]2)c1
InChIInChI=1S/C14H15N3O2S/c1-9(18)10-7-13(20-8-10)14(19)17-6-2-3-12(17)11-4-5-15-16-11/h4-5,7-8,12H,2-3,6H2,1H3,(H,15,16)/t12-/m1/s1
InChIKeyHYVALGAGCIAVHQ-GFCCVEGCSA-N
XLogP2.65
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R)-2-(1H-pyrazol-5-yl)piperidin-1-yl]-(1,3-thiazol-5-yl)methanone
CID 124641151
N-[4-[(2S)-2-(1H-pyrazol-5-yl)piperidine-1-carbonyl]-2-pyridinyl]acetamide
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(5-bromo-3-methyl-2-pyridinyl)-[(2S)-2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
CID 167886147
(2,4-dimethyl-1,3-thiazol-5-yl)-[(2R)-2-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 125002293
[(2S)-oxolan-2-yl]-[(2R)-2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
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3,3-dimethyl-1-[(2S)-2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]butan-1-one
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(1-propylpyrazol-4-yl)-[2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
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(2-chlorophenyl)-[2-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
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(5-methylpyrazin-2-yl)-[2-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 110270861
(2-cyclopropylpyrimidin-5-yl)-[(2R)-2-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 124944774
cis-(1R,3S)-2,2-dimethyl-3-[2-(1H-pyrazol-5-yl)pyrrolidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 122066333
1-[4-[(2R)-2-[4-[2-(dimethylamino)pyrimidin-4-yl]-1H-pyrazol-5-yl]pyrrolidine-1-carbonyl]thiophen-2-yl]ethanone
CID 92550783

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(2R)-2-(1H-pyrazol-5-yl)pyrrolidine-1-carbonyl]thiophen-3-yl]ethanone?
The IUPAC name of 1-[5-[(2R)-2-(1H-pyrazol-5-yl)pyrrolidine-1-carbonyl]thiophen-3-yl]ethanone (CID 99801050) is 1-[5-[(2R)-2-(1H-pyrazol-5-yl)pyrrolidine-1-carbonyl]thiophen-3-yl]ethanone.
What is the SMILES notation for 1-[5-[(2R)-2-(1H-pyrazol-5-yl)pyrrolidine-1-carbonyl]thiophen-3-yl]ethanone?
The canonical SMILES for 1-[5-[(2R)-2-(1H-pyrazol-5-yl)pyrrolidine-1-carbonyl]thiophen-3-yl]ethanone is CC(=O)c1csc(C(=O)N2CCC[C@@H]2c2ccn[nH]2)c1.
What is the InChIKey of 1-[5-[(2R)-2-(1H-pyrazol-5-yl)pyrrolidine-1-carbonyl]thiophen-3-yl]ethanone?
The InChIKey is HYVALGAGCIAVHQ-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H15N3O2S/c1-9(18)10-7-13(20-8-10)14(19)17-6-2-3-12(17)11-4-5-15-16-11/h4-5,7-8,12H,2-3,6H2,1H3,(H,15,16)/t12-/m1/s1.
What are the key properties of 1-[5-[(2R)-2-(1H-pyrazol-5-yl)pyrrolidine-1-carbonyl]thiophen-3-yl]ethanone?
1-[5-[(2R)-2-(1H-pyrazol-5-yl)pyrrolidine-1-carbonyl]thiophen-3-yl]ethanone has a molecular weight of 289.36 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(2R)-2-(1H-pyrazol-5-yl)pyrrolidine-1-carbonyl]thiophen-3-yl]ethanone is sourced from PubChem (CID 99801050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).