1-[(3R)-1,1-dioxothiolan-3-yl]-N-[(5-ethylthiophen-2-yl)methyl]-3-propan-2-ylpyrazole-4-carboxamide

C18H25N3O3S2 — CID 95781996

IUPAC1-[(3R)-1,1-dioxothiolan-3-yl]-N-[(5-ethylthiophen-2-yl)methyl]-3-propan-2-ylpyrazole-4-carboxamide
SMILESCCc1ccc(CNC(=O)c2cn([C@@H]3CCS(=O)(=O)C3)nc2C(C)C)s1
InChIInChI=1S/C18H25N3O3S2/c1-4-14-5-6-15(25-14)9-19-18(22)16-10-21(20-17(16)12(2)3)13-7-8-26(23,24)11-13/h5-6,10,12-13H,4,7-9,11H2,1-3H3,(H,19,22)/t13-/m1/s1
InChIKeyPEUMGWQWZMSOLD-CYBMUJFWSA-N
MW395.55 g/mol
LogP2.92
Rot. Bonds6

About 1-[(3R)-1,1-dioxothiolan-3-yl]-N-[(5-ethylthiophen-2-yl)methyl]-3-propan-2-ylpyrazole-4-carboxamide

1-[(3R)-1,1-dioxothiolan-3-yl]-N-[(5-ethylthiophen-2-yl)methyl]-3-propan-2-ylpyrazole-4-carboxamide (PubChem CID 95781996) has the molecular formula C18H25N3O3S2 and a molecular weight of 395.55 g/mol. Its IUPAC name is 1-[(3R)-1,1-dioxothiolan-3-yl]-N-[(5-ethylthiophen-2-yl)methyl]-3-propan-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-[(3R)-1,1-dioxothiolan-3-yl]-N-[(5-ethylthiophen-2-yl)methyl]-3-propan-2-ylpyrazole-4-carboxamide
PubChem CID95781996
Molecular FormulaC18H25N3O3S2
Molecular Weight395.55 g/mol
Exact Mass395.13
IUPAC Name1-[(3R)-1,1-dioxothiolan-3-yl]-N-[(5-ethylthiophen-2-yl)methyl]-3-propan-2-ylpyrazole-4-carboxamide
SMILESCCc1ccc(CNC(=O)c2cn([C@@H]3CCS(=O)(=O)C3)nc2C(C)C)s1
InChIInChI=1S/C18H25N3O3S2/c1-4-14-5-6-15(25-14)9-19-18(22)16-10-21(20-17(16)12(2)3)13-7-8-26(23,24)11-13/h5-6,10,12-13H,4,7-9,11H2,1-3H3,(H,19,22)/t13-/m1/s1
InChIKeyPEUMGWQWZMSOLD-CYBMUJFWSA-N
XLogP2.92
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.55
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[(3R)-1,1-dioxothiolan-3-yl]-N-[(5-ethylthiophen-2-yl)methyl]-3-propan-2-ylpyrazole-4-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-1,1-dioxothiolan-3-yl]-N-[(5-ethylthiophen-2-yl)methyl]-3-propan-2-ylpyrazole-4-carboxamide?
The IUPAC name of 1-[(3R)-1,1-dioxothiolan-3-yl]-N-[(5-ethylthiophen-2-yl)methyl]-3-propan-2-ylpyrazole-4-carboxamide (CID 95781996) is 1-[(3R)-1,1-dioxothiolan-3-yl]-N-[(5-ethylthiophen-2-yl)methyl]-3-propan-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for 1-[(3R)-1,1-dioxothiolan-3-yl]-N-[(5-ethylthiophen-2-yl)methyl]-3-propan-2-ylpyrazole-4-carboxamide?
The canonical SMILES for 1-[(3R)-1,1-dioxothiolan-3-yl]-N-[(5-ethylthiophen-2-yl)methyl]-3-propan-2-ylpyrazole-4-carboxamide is CCc1ccc(CNC(=O)c2cn([C@@H]3CCS(=O)(=O)C3)nc2C(C)C)s1.
What is the InChIKey of 1-[(3R)-1,1-dioxothiolan-3-yl]-N-[(5-ethylthiophen-2-yl)methyl]-3-propan-2-ylpyrazole-4-carboxamide?
The InChIKey is PEUMGWQWZMSOLD-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H25N3O3S2/c1-4-14-5-6-15(25-14)9-19-18(22)16-10-21(20-17(16)12(2)3)13-7-8-26(23,24)11-13/h5-6,10,12-13H,4,7-9,11H2,1-3H3,(H,19,22)/t13-/m1/s1.
What are the key properties of 1-[(3R)-1,1-dioxothiolan-3-yl]-N-[(5-ethylthiophen-2-yl)methyl]-3-propan-2-ylpyrazole-4-carboxamide?
1-[(3R)-1,1-dioxothiolan-3-yl]-N-[(5-ethylthiophen-2-yl)methyl]-3-propan-2-ylpyrazole-4-carboxamide has a molecular weight of 395.55 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-1,1-dioxothiolan-3-yl]-N-[(5-ethylthiophen-2-yl)methyl]-3-propan-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 95781996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).