N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-5-propyl-1H-pyrazole-3-carboxamide

C12H20N4O3S — CID 49067283

IUPACN-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-5-propyl-1H-pyrazole-3-carboxamide
SMILESCCCc1cc(C(=O)NCCN2CCCS2(=O)=O)n[nH]1
InChIInChI=1S/C12H20N4O3S/c1-2-4-10-9-11(15-14-10)12(17)13-5-7-16-6-3-8-20(16,18)19/h9H,2-8H2,1H3,(H,13,17)(H,14,15)
InChIKeyYCTOZXGAIXKNCN-UHFFFAOYSA-N
MW300.38 g/mol
LogP0.13
Rot. Bonds6

About N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-5-propyl-1H-pyrazole-3-carboxamide

N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-5-propyl-1H-pyrazole-3-carboxamide (PubChem CID 49067283) has the molecular formula C12H20N4O3S and a molecular weight of 300.38 g/mol. Its IUPAC name is N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-5-propyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-5-propyl-1H-pyrazole-3-carboxamide
PubChem CID49067283
Molecular FormulaC12H20N4O3S
Molecular Weight300.38 g/mol
Exact Mass300.13
IUPAC NameN-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-5-propyl-1H-pyrazole-3-carboxamide
SMILESCCCc1cc(C(=O)NCCN2CCCS2(=O)=O)n[nH]1
InChIInChI=1S/C12H20N4O3S/c1-2-4-10-9-11(15-14-10)12(17)13-5-7-16-6-3-8-20(16,18)19/h9H,2-8H2,1H3,(H,13,17)(H,14,15)
InChIKeyYCTOZXGAIXKNCN-UHFFFAOYSA-N
XLogP0.13
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-5-propyl-1H-pyrazole-3-carboxamide with MolForge

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Related Compounds

Kdm5A-IN-1
CID 119081409
US10022354, Example 152
CID 121279737
N-{(3S)-1-[5-(propan-2-yl)-1H-pyrazole-3-carbonyl]pyrrolidin-3-yl}cyclopropanecarboxamide
CID 129606887
US10022354, Example 151
CID 132054530
US10022354, Example 123
CID 121279532
US10022354, Example 168
CID 132070206
US10022354, Example 27
CID 121279544
5-methyl-N-(6-sulfanylhexyl)-1H-pyrazole-3-carboxamide
CID 127027020
5-cyclohexyl-N-(6-sulfanylhexyl)-1H-pyrazole-3-carboxamide
CID 127027021
2-methyl-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]propanamide
CID 137634783
US10022354, Example 17
CID 121279554
US10022354, Example 124
CID 121279533

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-5-propyl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-5-propyl-1H-pyrazole-3-carboxamide (CID 49067283) is N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-5-propyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-5-propyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-5-propyl-1H-pyrazole-3-carboxamide is CCCc1cc(C(=O)NCCN2CCCS2(=O)=O)n[nH]1.
What is the InChIKey of N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-5-propyl-1H-pyrazole-3-carboxamide?
The InChIKey is YCTOZXGAIXKNCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3S/c1-2-4-10-9-11(15-14-10)12(17)13-5-7-16-6-3-8-20(16,18)19/h9H,2-8H2,1H3,(H,13,17)(H,14,15).
What are the key properties of N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-5-propyl-1H-pyrazole-3-carboxamide?
N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-5-propyl-1H-pyrazole-3-carboxamide has a molecular weight of 300.38 g/mol, XLogP of 0.13, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-5-propyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 49067283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).