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

C16H19N3O2S — CID 75393458

IUPAC1-(1-methylpyrazol-4-yl)-2-[1-(4-methylthiophene-3-carbonyl)pyrrolidin-2-yl]ethanone
SMILESCc1cscc1C(=O)N1CCCC1CC(=O)c1cnn(C)c1
InChIInChI=1S/C16H19N3O2S/c1-11-9-22-10-14(11)16(21)19-5-3-4-13(19)6-15(20)12-7-17-18(2)8-12/h7-10,13H,3-6H2,1-2H3
InChIKeyRYFNFLXFLUIFCC-UHFFFAOYSA-N
MW317.41 g/mol
LogP2.67
Rot. Bonds4

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

1-(1-methylpyrazol-4-yl)-2-[1-(4-methylthiophene-3-carbonyl)pyrrolidin-2-yl]ethanone (PubChem CID 75393458) has the molecular formula C16H19N3O2S and a molecular weight of 317.41 g/mol. Its IUPAC name is 1-(1-methylpyrazol-4-yl)-2-[1-(4-methylthiophene-3-carbonyl)pyrrolidin-2-yl]ethanone.

Molecular Properties

Compound Name1-(1-methylpyrazol-4-yl)-2-[1-(4-methylthiophene-3-carbonyl)pyrrolidin-2-yl]ethanone
PubChem CID75393458
Molecular FormulaC16H19N3O2S
Molecular Weight317.41 g/mol
Exact Mass317.12
IUPAC Name1-(1-methylpyrazol-4-yl)-2-[1-(4-methylthiophene-3-carbonyl)pyrrolidin-2-yl]ethanone
SMILESCc1cscc1C(=O)N1CCCC1CC(=O)c1cnn(C)c1
InChIInChI=1S/C16H19N3O2S/c1-11-9-22-10-14(11)16(21)19-5-3-4-13(19)6-15(20)12-7-17-18(2)8-12/h7-10,13H,3-6H2,1-2H3
InChIKeyRYFNFLXFLUIFCC-UHFFFAOYSA-N
XLogP2.67
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrazol-4-yl)-2-[1-(4-methylthiophene-3-carbonyl)pyrrolidin-2-yl]ethanone?
The IUPAC name of 1-(1-methylpyrazol-4-yl)-2-[1-(4-methylthiophene-3-carbonyl)pyrrolidin-2-yl]ethanone (CID 75393458) is 1-(1-methylpyrazol-4-yl)-2-[1-(4-methylthiophene-3-carbonyl)pyrrolidin-2-yl]ethanone.
What is the SMILES notation for 1-(1-methylpyrazol-4-yl)-2-[1-(4-methylthiophene-3-carbonyl)pyrrolidin-2-yl]ethanone?
The canonical SMILES for 1-(1-methylpyrazol-4-yl)-2-[1-(4-methylthiophene-3-carbonyl)pyrrolidin-2-yl]ethanone is Cc1cscc1C(=O)N1CCCC1CC(=O)c1cnn(C)c1.
What is the InChIKey of 1-(1-methylpyrazol-4-yl)-2-[1-(4-methylthiophene-3-carbonyl)pyrrolidin-2-yl]ethanone?
The InChIKey is RYFNFLXFLUIFCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2S/c1-11-9-22-10-14(11)16(21)19-5-3-4-13(19)6-15(20)12-7-17-18(2)8-12/h7-10,13H,3-6H2,1-2H3.
What are the key properties of 1-(1-methylpyrazol-4-yl)-2-[1-(4-methylthiophene-3-carbonyl)pyrrolidin-2-yl]ethanone?
1-(1-methylpyrazol-4-yl)-2-[1-(4-methylthiophene-3-carbonyl)pyrrolidin-2-yl]ethanone has a molecular weight of 317.41 g/mol, XLogP of 2.67, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpyrazol-4-yl)-2-[1-(4-methylthiophene-3-carbonyl)pyrrolidin-2-yl]ethanone is sourced from PubChem (CID 75393458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).