2-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-3,5-dimethylpyrazol-4-yl]-1-pyrrolidin-1-ylethanone

C16H22N4OS — CID 53003389

IUPAC2-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-3,5-dimethylpyrazol-4-yl]-1-pyrrolidin-1-ylethanone
SMILESCc1nc(-n2nc(C)c(CC(=O)N3CCCC3)c2C)sc1C
InChIInChI=1S/C16H22N4OS/c1-10-13(4)22-16(17-10)20-12(3)14(11(2)18-20)9-15(21)19-7-5-6-8-19/h5-9H2,1-4H3
InChIKeyYZXPEWWPMZKSMW-UHFFFAOYSA-N
MW318.45 g/mol
LogP2.73
Rot. Bonds3

About 2-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-3,5-dimethylpyrazol-4-yl]-1-pyrrolidin-1-ylethanone

2-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-3,5-dimethylpyrazol-4-yl]-1-pyrrolidin-1-ylethanone (PubChem CID 53003389) has the molecular formula C16H22N4OS and a molecular weight of 318.45 g/mol. Its IUPAC name is 2-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-3,5-dimethylpyrazol-4-yl]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-3,5-dimethylpyrazol-4-yl]-1-pyrrolidin-1-ylethanone
PubChem CID53003389
Molecular FormulaC16H22N4OS
Molecular Weight318.45 g/mol
Exact Mass318.15
IUPAC Name2-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-3,5-dimethylpyrazol-4-yl]-1-pyrrolidin-1-ylethanone
SMILESCc1nc(-n2nc(C)c(CC(=O)N3CCCC3)c2C)sc1C
InChIInChI=1S/C16H22N4OS/c1-10-13(4)22-16(17-10)20-12(3)14(11(2)18-20)9-15(21)19-7-5-6-8-19/h5-9H2,1-4H3
InChIKeyYZXPEWWPMZKSMW-UHFFFAOYSA-N
XLogP2.73
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.45
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3,5-Dimethyl-1-(4-methyl-1,3-thiazol-2-YL)-1H-pyrazol-4-YL]-1-(pyrrolidin-1-YL)ethan-1-one
CID 53003388
1-[2-(4-Butyl-3,5-dimethyl-1H-pyrazol-1-YL)-4-methyl-1,3-thiazole-5-carbonyl]azepane
CID 23611556
2-{2-[3,5-Dimethyl-4-(prop-2-EN-1-YL)-1H-pyrazol-1-YL]-1,3-thiazol-4-YL}-N-propylacetamide
CID 46269571
N-cyclopropyl-2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 72004575
2-(4-Butyl-3,5-dimethyl-1H-pyrazol-1-YL)-4-methyl-5-(pyrrolidine-1-carbonyl)-1,3-thiazole
CID 23611554
2-[2-(3,5-Dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]-1-(4-methylpiperidin-1-yl)ethanone
CID 46265276
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 18129819
N-[4-methyl-5-(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 24667438
2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[4-methyl-5-(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]acetamide
CID 25668176
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetamide
CID 33040562
1-[4-(4-Methyl-1,3-thiazol-2-yl)piperazin-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanone
CID 35195764
N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 35340370

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-3,5-dimethylpyrazol-4-yl]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-3,5-dimethylpyrazol-4-yl]-1-pyrrolidin-1-ylethanone (CID 53003389) is 2-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-3,5-dimethylpyrazol-4-yl]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-3,5-dimethylpyrazol-4-yl]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-3,5-dimethylpyrazol-4-yl]-1-pyrrolidin-1-ylethanone is Cc1nc(-n2nc(C)c(CC(=O)N3CCCC3)c2C)sc1C.
What is the InChIKey of 2-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-3,5-dimethylpyrazol-4-yl]-1-pyrrolidin-1-ylethanone?
The InChIKey is YZXPEWWPMZKSMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4OS/c1-10-13(4)22-16(17-10)20-12(3)14(11(2)18-20)9-15(21)19-7-5-6-8-19/h5-9H2,1-4H3.
What are the key properties of 2-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-3,5-dimethylpyrazol-4-yl]-1-pyrrolidin-1-ylethanone?
2-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-3,5-dimethylpyrazol-4-yl]-1-pyrrolidin-1-ylethanone has a molecular weight of 318.45 g/mol, XLogP of 2.73, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-3,5-dimethylpyrazol-4-yl]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 53003389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).