2-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide

C15H21N5OS — CID 56780507

IUPAC2-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
SMILESCc1cnn(CC2CCCN2CC(=O)Nc2nc(C)cs2)c1
InChIInChI=1S/C15H21N5OS/c1-11-6-16-20(7-11)8-13-4-3-5-19(13)9-14(21)18-15-17-12(2)10-22-15/h6-7,10,13H,3-5,8-9H2,1-2H3,(H,17,18,21)
InChIKeyGDIJDZISINOASF-UHFFFAOYSA-N
MW319.43 g/mol
LogP2.06
Rot. Bonds5

About 2-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide

2-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide (PubChem CID 56780507) has the molecular formula C15H21N5OS and a molecular weight of 319.43 g/mol. Its IUPAC name is 2-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
PubChem CID56780507
Molecular FormulaC15H21N5OS
Molecular Weight319.43 g/mol
Exact Mass319.15
IUPAC Name2-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
SMILESCc1cnn(CC2CCCN2CC(=O)Nc2nc(C)cs2)c1
InChIInChI=1S/C15H21N5OS/c1-11-6-16-20(7-11)8-13-4-3-5-19(13)9-14(21)18-15-17-12(2)10-22-15/h6-7,10,13H,3-5,8-9H2,1-2H3,(H,17,18,21)
InChIKeyGDIJDZISINOASF-UHFFFAOYSA-N
XLogP2.06
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4-Methylpyrazol-1-yl)-1-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]propan-1-one
CID 53511851
N-[4-[[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 53565398
N-[4-[[2-(pyrazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 53603018
N-[4-[[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 53607494
N-methyl-N-[4-[[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 53612720
N-[4-[[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 53619910
2-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 56780497
N-[4-[2-(pyrazol-1-ylmethyl)piperidine-1-carbonyl]-1,3-thiazol-2-yl]acetamide
CID 56802309
N-[4-[2-[(4-methylpyrazol-1-yl)methyl]piperidine-1-carbonyl]-1,3-thiazol-2-yl]acetamide
CID 56802316
N-[4-[2-(pyrazol-1-ylmethyl)pyrrolidine-1-carbonyl]-1,3-thiazol-2-yl]acetamide
CID 56802339
N-[4-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidine-1-carbonyl]-1,3-thiazol-2-yl]acetamide
CID 56802356
3-(4-Methylpyrazol-1-yl)-1-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one
CID 56817568

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide (CID 56780507) is 2-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide is Cc1cnn(CC2CCCN2CC(=O)Nc2nc(C)cs2)c1.
What is the InChIKey of 2-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is GDIJDZISINOASF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5OS/c1-11-6-16-20(7-11)8-13-4-3-5-19(13)9-14(21)18-15-17-12(2)10-22-15/h6-7,10,13H,3-5,8-9H2,1-2H3,(H,17,18,21).
What are the key properties of 2-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
2-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 319.43 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 56780507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).