5-[1-[2-(4-acetyl-3,5-dimethylpyrazol-1-yl)acetyl]pyrrolidin-2-yl]thiophene-2-carboxamide

C18H22N4O3S — CID 45253287

IUPAC5-[1-[2-(4-acetyl-3,5-dimethylpyrazol-1-yl)acetyl]pyrrolidin-2-yl]thiophene-2-carboxamide
SMILESCC(=O)c1c(C)nn(CC(=O)N2CCCC2c2ccc(C(N)=O)s2)c1C
InChIInChI=1S/C18H22N4O3S/c1-10-17(12(3)23)11(2)22(20-10)9-16(24)21-8-4-5-13(21)14-6-7-15(26-14)18(19)25/h6-7,13H,4-5,8-9H2,1-3H3,(H2,19,25)
InChIKeyMCLZGWUZVCKVMX-UHFFFAOYSA-N
MW374.47 g/mol
LogP2.23
Rot. Bonds5

About 5-[1-[2-(4-acetyl-3,5-dimethylpyrazol-1-yl)acetyl]pyrrolidin-2-yl]thiophene-2-carboxamide

5-[1-[2-(4-acetyl-3,5-dimethylpyrazol-1-yl)acetyl]pyrrolidin-2-yl]thiophene-2-carboxamide (PubChem CID 45253287) has the molecular formula C18H22N4O3S and a molecular weight of 374.47 g/mol. Its IUPAC name is 5-[1-[2-(4-acetyl-3,5-dimethylpyrazol-1-yl)acetyl]pyrrolidin-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-[1-[2-(4-acetyl-3,5-dimethylpyrazol-1-yl)acetyl]pyrrolidin-2-yl]thiophene-2-carboxamide
PubChem CID45253287
Molecular FormulaC18H22N4O3S
Molecular Weight374.47 g/mol
Exact Mass374.14
IUPAC Name5-[1-[2-(4-acetyl-3,5-dimethylpyrazol-1-yl)acetyl]pyrrolidin-2-yl]thiophene-2-carboxamide
SMILESCC(=O)c1c(C)nn(CC(=O)N2CCCC2c2ccc(C(N)=O)s2)c1C
InChIInChI=1S/C18H22N4O3S/c1-10-17(12(3)23)11(2)22(20-10)9-16(24)21-8-4-5-13(21)14-6-7-15(26-14)18(19)25/h6-7,13H,4-5,8-9H2,1-3H3,(H2,19,25)
InChIKeyMCLZGWUZVCKVMX-UHFFFAOYSA-N
XLogP2.23
TPSA98.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.47
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[1-[2-(4-acetyl-3,5-dimethylpyrazol-1-yl)acetyl]pyrrolidin-2-yl]thiophene-2-carboxamide?
The IUPAC name of 5-[1-[2-(4-acetyl-3,5-dimethylpyrazol-1-yl)acetyl]pyrrolidin-2-yl]thiophene-2-carboxamide (CID 45253287) is 5-[1-[2-(4-acetyl-3,5-dimethylpyrazol-1-yl)acetyl]pyrrolidin-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for 5-[1-[2-(4-acetyl-3,5-dimethylpyrazol-1-yl)acetyl]pyrrolidin-2-yl]thiophene-2-carboxamide?
The canonical SMILES for 5-[1-[2-(4-acetyl-3,5-dimethylpyrazol-1-yl)acetyl]pyrrolidin-2-yl]thiophene-2-carboxamide is CC(=O)c1c(C)nn(CC(=O)N2CCCC2c2ccc(C(N)=O)s2)c1C.
What is the InChIKey of 5-[1-[2-(4-acetyl-3,5-dimethylpyrazol-1-yl)acetyl]pyrrolidin-2-yl]thiophene-2-carboxamide?
The InChIKey is MCLZGWUZVCKVMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3S/c1-10-17(12(3)23)11(2)22(20-10)9-16(24)21-8-4-5-13(21)14-6-7-15(26-14)18(19)25/h6-7,13H,4-5,8-9H2,1-3H3,(H2,19,25).
What are the key properties of 5-[1-[2-(4-acetyl-3,5-dimethylpyrazol-1-yl)acetyl]pyrrolidin-2-yl]thiophene-2-carboxamide?
5-[1-[2-(4-acetyl-3,5-dimethylpyrazol-1-yl)acetyl]pyrrolidin-2-yl]thiophene-2-carboxamide has a molecular weight of 374.47 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[2-(4-acetyl-3,5-dimethylpyrazol-1-yl)acetyl]pyrrolidin-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 45253287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).