2-[1-(3-methoxythiophene-2-carbonyl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone

C16H19N3O3S — CID 136516635

IUPAC2-[1-(3-methoxythiophene-2-carbonyl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone
SMILESCOc1ccsc1C(=O)N1CCCC1CC(=O)c1cnn(C)c1
InChIInChI=1S/C16H19N3O3S/c1-18-10-11(9-17-18)13(20)8-12-4-3-6-19(12)16(21)15-14(22-2)5-7-23-15/h5,7,9-10,12H,3-4,6,8H2,1-2H3
InChIKeyJWZDQIGVCBEKHJ-UHFFFAOYSA-N
MW333.41 g/mol
LogP2.37
Rot. Bonds5

About 2-[1-(3-methoxythiophene-2-carbonyl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone

2-[1-(3-methoxythiophene-2-carbonyl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone (PubChem CID 136516635) has the molecular formula C16H19N3O3S and a molecular weight of 333.41 g/mol. Its IUPAC name is 2-[1-(3-methoxythiophene-2-carbonyl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone.

Molecular Properties

Compound Name2-[1-(3-methoxythiophene-2-carbonyl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone
PubChem CID136516635
Molecular FormulaC16H19N3O3S
Molecular Weight333.41 g/mol
Exact Mass333.11
IUPAC Name2-[1-(3-methoxythiophene-2-carbonyl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone
SMILESCOc1ccsc1C(=O)N1CCCC1CC(=O)c1cnn(C)c1
InChIInChI=1S/C16H19N3O3S/c1-18-10-11(9-17-18)13(20)8-12-4-3-6-19(12)16(21)15-14(22-2)5-7-23-15/h5,7,9-10,12H,3-4,6,8H2,1-2H3
InChIKeyJWZDQIGVCBEKHJ-UHFFFAOYSA-N
XLogP2.37
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-(4-fluoro-3-methoxybenzoyl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone
CID 75435113
[2-(aminomethyl)pyrrolidin-1-yl]-(3-methoxythiophen-2-yl)methanone;hydrochloride
CID 119631702
2-[(2S)-1-(cyclopentene-1-carbonyl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone
CID 97248046
[2-(3-bromopropyl)pyrrolidin-1-yl]-(3-methoxythiophen-2-yl)methanone
CID 81129669
2-[1-[2-(2-chloro-6-methoxyphenyl)acetyl]pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone
CID 136531707
2-[(2R)-1-(5-chloropyridine-2-carbonyl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone
CID 97248069
2-[1-(5-chloropyridine-2-carbonyl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone
CID 75393457
2-[(2S)-1-[(1S,5S)-bicyclo[3.1.0]hexane-6-carbonyl]pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone
CID 98248444
1-(1-methylpyrazol-4-yl)-2-[1-(5-nitrofuran-2-carbonyl)pyrrolidin-2-yl]ethanone
CID 75393455
1-(3-methoxythiophene-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 81117693
3-(4-fluorophenyl)-1-[(2R)-2-[2-(1-methylpyrazol-4-yl)-2-oxoethyl]pyrrolidin-1-yl]propan-1-one
CID 124592360
2-[1-(imidazo[1,2-a]pyridine-7-carbonyl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone
CID 75435138

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-methoxythiophene-2-carbonyl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone?
The IUPAC name of 2-[1-(3-methoxythiophene-2-carbonyl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone (CID 136516635) is 2-[1-(3-methoxythiophene-2-carbonyl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone.
What is the SMILES notation for 2-[1-(3-methoxythiophene-2-carbonyl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone?
The canonical SMILES for 2-[1-(3-methoxythiophene-2-carbonyl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone is COc1ccsc1C(=O)N1CCCC1CC(=O)c1cnn(C)c1.
What is the InChIKey of 2-[1-(3-methoxythiophene-2-carbonyl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone?
The InChIKey is JWZDQIGVCBEKHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3S/c1-18-10-11(9-17-18)13(20)8-12-4-3-6-19(12)16(21)15-14(22-2)5-7-23-15/h5,7,9-10,12H,3-4,6,8H2,1-2H3.
What are the key properties of 2-[1-(3-methoxythiophene-2-carbonyl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone?
2-[1-(3-methoxythiophene-2-carbonyl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone has a molecular weight of 333.41 g/mol, XLogP of 2.37, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-methoxythiophene-2-carbonyl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone is sourced from PubChem (CID 136516635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).