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

C15H20N4OS — CID 53003388

IUPAC2-[3,5-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)pyrazol-4-yl]-1-pyrrolidin-1-ylethanone
SMILESCc1csc(-n2nc(C)c(CC(=O)N3CCCC3)c2C)n1
InChIInChI=1S/C15H20N4OS/c1-10-9-21-15(16-10)19-12(3)13(11(2)17-19)8-14(20)18-6-4-5-7-18/h9H,4-8H2,1-3H3
InChIKeyMMSYHEBMARZPFQ-UHFFFAOYSA-N
MW304.42 g/mol
LogP2.42
Rot. Bonds3

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

2-[3,5-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)pyrazol-4-yl]-1-pyrrolidin-1-ylethanone (PubChem CID 53003388) has the molecular formula C15H20N4OS and a molecular weight of 304.42 g/mol. Its IUPAC name is 2-[3,5-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)pyrazol-4-yl]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[3,5-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)pyrazol-4-yl]-1-pyrrolidin-1-ylethanone
PubChem CID53003388
Molecular FormulaC15H20N4OS
Molecular Weight304.42 g/mol
Exact Mass304.14
IUPAC Name2-[3,5-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)pyrazol-4-yl]-1-pyrrolidin-1-ylethanone
SMILESCc1csc(-n2nc(C)c(CC(=O)N3CCCC3)c2C)n1
InChIInChI=1S/C15H20N4OS/c1-10-9-21-15(16-10)19-12(3)13(11(2)17-19)8-14(20)18-6-4-5-7-18/h9H,4-8H2,1-3H3
InChIKeyMMSYHEBMARZPFQ-UHFFFAOYSA-N
XLogP2.42
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 24581304
2-[1-(4,5-Dimethyl-1,3-thiazol-2-YL)-3,5-dimethyl-1H-pyrazol-4-YL]-1-(pyrrolidin-1-YL)ethan-1-one
CID 53003389
N-[4-[[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-methylacetamide
CID 56780570
N-{[2-(1-pyrrolidinyl)-1,3-thiazol-4-yl]methyl}-3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propanamide
CID 70779660
N-{2-[2-(3,5-dimethyl-1-pyrazolyl)-1,3-thiazol-4-yl]ethyl}-(S)-3-cyclohexene-1-carboxamide
CID 97041231
1-(Azepan-1-YL)-2-[2-(3,5-dimethyl-1H-pyrazol-1-YL)-1,3-thiazol-4-YL]ethan-1-one
CID 46265279
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-(4-propan-2-yl-1,3-thiazol-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 18130067
N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 43069907
2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide
CID 48658167
N-cyclopropyl-2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 72004575
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetamide
CID 86847878

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)pyrazol-4-yl]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[3,5-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)pyrazol-4-yl]-1-pyrrolidin-1-ylethanone (CID 53003388) is 2-[3,5-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)pyrazol-4-yl]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[3,5-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)pyrazol-4-yl]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[3,5-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)pyrazol-4-yl]-1-pyrrolidin-1-ylethanone is Cc1csc(-n2nc(C)c(CC(=O)N3CCCC3)c2C)n1.
What is the InChIKey of 2-[3,5-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)pyrazol-4-yl]-1-pyrrolidin-1-ylethanone?
The InChIKey is MMSYHEBMARZPFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4OS/c1-10-9-21-15(16-10)19-12(3)13(11(2)17-19)8-14(20)18-6-4-5-7-18/h9H,4-8H2,1-3H3.
What are the key properties of 2-[3,5-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)pyrazol-4-yl]-1-pyrrolidin-1-ylethanone?
2-[3,5-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)pyrazol-4-yl]-1-pyrrolidin-1-ylethanone has a molecular weight of 304.42 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)pyrazol-4-yl]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 53003388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).