[2-(4-butyl-3,5-dimethylpyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl]-pyrrolidin-1-ylmethanone

C18H26N4OS — CID 23611554

IUPAC[2-(4-butyl-3,5-dimethylpyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl]-pyrrolidin-1-ylmethanone
SMILESCCCCc1c(C)nn(-c2nc(C)c(C(=O)N3CCCC3)s2)c1C
InChIInChI=1S/C18H26N4OS/c1-5-6-9-15-12(2)20-22(14(15)4)18-19-13(3)16(24-18)17(23)21-10-7-8-11-21/h5-11H2,1-4H3
InChIKeyHVEDOGPGAGWEGE-UHFFFAOYSA-N
MW346.50 g/mol
LogP3.83
Rot. Bonds5

About [2-(4-butyl-3,5-dimethylpyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl]-pyrrolidin-1-ylmethanone

[2-(4-butyl-3,5-dimethylpyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl]-pyrrolidin-1-ylmethanone (PubChem CID 23611554) has the molecular formula C18H26N4OS and a molecular weight of 346.50 g/mol. Its IUPAC name is [2-(4-butyl-3,5-dimethylpyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[2-(4-butyl-3,5-dimethylpyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl]-pyrrolidin-1-ylmethanone
PubChem CID23611554
Molecular FormulaC18H26N4OS
Molecular Weight346.50 g/mol
Exact Mass346.18
IUPAC Name[2-(4-butyl-3,5-dimethylpyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl]-pyrrolidin-1-ylmethanone
SMILESCCCCc1c(C)nn(-c2nc(C)c(C(=O)N3CCCC3)s2)c1C
InChIInChI=1S/C18H26N4OS/c1-5-6-9-15-12(2)20-22(14(15)4)18-19-13(3)16(24-18)17(23)21-10-7-8-11-21/h5-11H2,1-4H3
InChIKeyHVEDOGPGAGWEGE-UHFFFAOYSA-N
XLogP3.83
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.50
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(4-butyl-3,5-dimethylpyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [2-(4-butyl-3,5-dimethylpyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl]-pyrrolidin-1-ylmethanone (CID 23611554) is [2-(4-butyl-3,5-dimethylpyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [2-(4-butyl-3,5-dimethylpyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [2-(4-butyl-3,5-dimethylpyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl]-pyrrolidin-1-ylmethanone is CCCCc1c(C)nn(-c2nc(C)c(C(=O)N3CCCC3)s2)c1C.
What is the InChIKey of [2-(4-butyl-3,5-dimethylpyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is HVEDOGPGAGWEGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4OS/c1-5-6-9-15-12(2)20-22(14(15)4)18-19-13(3)16(24-18)17(23)21-10-7-8-11-21/h5-11H2,1-4H3.
What are the key properties of [2-(4-butyl-3,5-dimethylpyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl]-pyrrolidin-1-ylmethanone?
[2-(4-butyl-3,5-dimethylpyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 346.50 g/mol, XLogP of 3.83, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-butyl-3,5-dimethylpyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 23611554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).