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

C12H20N4O3S — CID 49066548

IUPACN-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
SMILESCC(C)c1cc(C(=O)NCCN2CCCS2(=O)=O)n[nH]1
InChIInChI=1S/C12H20N4O3S/c1-9(2)10-8-11(15-14-10)12(17)13-4-6-16-5-3-7-20(16,18)19/h8-9H,3-7H2,1-2H3,(H,13,17)(H,14,15)
InChIKeyLCHFLPNSPYRQCJ-UHFFFAOYSA-N
MW300.38 g/mol
LogP0.30
Rot. Bonds5

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

N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide (PubChem CID 49066548) 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-propan-2-yl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
PubChem CID49066548
Molecular FormulaC12H20N4O3S
Molecular Weight300.38 g/mol
Exact Mass300.13
IUPAC NameN-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
SMILESCC(C)c1cc(C(=O)NCCN2CCCS2(=O)=O)n[nH]1
InChIInChI=1S/C12H20N4O3S/c1-9(2)10-8-11(15-14-10)12(17)13-4-6-16-5-3-7-20(16,18)19/h8-9H,3-7H2,1-2H3,(H,13,17)(H,14,15)
InChIKeyLCHFLPNSPYRQCJ-UHFFFAOYSA-N
XLogP0.30
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
US10022354, Example 231
CID 121279598
US10022354, Example 172
CID 121279599
US10022354, Example 230
CID 121279605

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide (CID 49066548) is N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide is CC(C)c1cc(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-propan-2-yl-1H-pyrazole-3-carboxamide?
The InChIKey is LCHFLPNSPYRQCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3S/c1-9(2)10-8-11(15-14-10)12(17)13-4-6-16-5-3-7-20(16,18)19/h8-9H,3-7H2,1-2H3,(H,13,17)(H,14,15).
What are the key properties of N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide?
N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide has a molecular weight of 300.38 g/mol, XLogP of 0.30, 5 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-propan-2-yl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 49066548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).