N-[2-(1,1-dioxothiolan-3-yl)pyrazol-3-yl]-3-thiophen-3-ylpropanamide

C14H17N3O3S2 — CID 71993648

IUPACN-[2-(1,1-dioxothiolan-3-yl)pyrazol-3-yl]-3-thiophen-3-ylpropanamide
SMILESO=C(CCc1ccsc1)Nc1ccnn1C1CCS(=O)(=O)C1
InChIInChI=1S/C14H17N3O3S2/c18-14(2-1-11-4-7-21-9-11)16-13-3-6-15-17(13)12-5-8-22(19,20)10-12/h3-4,6-7,9,12H,1-2,5,8,10H2,(H,16,18)
InChIKeyKBVYDCAVEHTQHT-UHFFFAOYSA-N
MW339.44 g/mol
LogP1.88
Rot. Bonds5

About N-[2-(1,1-dioxothiolan-3-yl)pyrazol-3-yl]-3-thiophen-3-ylpropanamide

N-[2-(1,1-dioxothiolan-3-yl)pyrazol-3-yl]-3-thiophen-3-ylpropanamide (PubChem CID 71993648) has the molecular formula C14H17N3O3S2 and a molecular weight of 339.44 g/mol. Its IUPAC name is N-[2-(1,1-dioxothiolan-3-yl)pyrazol-3-yl]-3-thiophen-3-ylpropanamide.

Molecular Properties

Compound NameN-[2-(1,1-dioxothiolan-3-yl)pyrazol-3-yl]-3-thiophen-3-ylpropanamide
PubChem CID71993648
Molecular FormulaC14H17N3O3S2
Molecular Weight339.44 g/mol
Exact Mass339.07
IUPAC NameN-[2-(1,1-dioxothiolan-3-yl)pyrazol-3-yl]-3-thiophen-3-ylpropanamide
SMILESO=C(CCc1ccsc1)Nc1ccnn1C1CCS(=O)(=O)C1
InChIInChI=1S/C14H17N3O3S2/c18-14(2-1-11-4-7-21-9-11)16-13-3-6-15-17(13)12-5-8-22(19,20)10-12/h3-4,6-7,9,12H,1-2,5,8,10H2,(H,16,18)
InChIKeyKBVYDCAVEHTQHT-UHFFFAOYSA-N
XLogP1.88
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-propan-2-ylpyrazol-3-yl)-3-thiophen-3-ylpropanamide
CID 47110779
N-(2-cyclopentylpyrazol-3-yl)-2-[methyl(thiophen-3-ylmethyl)amino]acetamide
CID 9437889
N-(2-propylpyrazol-3-yl)-3-thiophen-3-ylpropanamide
CID 38995471
N-(2-cyclopentylpyrazol-3-yl)-1-(1,1-dioxothiolan-3-yl)piperidine-4-carboxamide
CID 134700952
N-[2-(1,1-dioxothiolan-3-yl)pyrazol-3-yl]-4-(3-phenylpropyl)-1,4-diazepane-1-carboxamide
CID 139008438
N-[2-(1,1-dioxothiolan-3-yl)pyrazol-3-yl]-5-phenyl-3,6-dihydro-2H-pyridine-1-carboxamide
CID 167967168
3-(2-chlorophenyl)-N-(2-cyclopentylpyrazol-3-yl)propanamide
CID 78807984
(E)-N-[2-(1,1-dioxothiolan-3-yl)pyrazol-3-yl]-3-(5-methylfuran-2-yl)prop-2-enamide
CID 75533906
2-chloro-N-(2-cyclobutylpyrazol-3-yl)acetamide
CID 166407634
N-[2-[1-(cyclobutanecarbonyl)piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide
CID 25448307
N-[3-tert-butyl-1-[(3R)-1,1-dioxothiolan-3-yl]pyrazol-5-yl]-2-pyridin-4-ylacetamide
CID 97344962
N-[2-(1,1-dioxothiolan-3-yl)-5-methylpyrazol-3-yl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 55560857

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,1-dioxothiolan-3-yl)pyrazol-3-yl]-3-thiophen-3-ylpropanamide?
The IUPAC name of N-[2-(1,1-dioxothiolan-3-yl)pyrazol-3-yl]-3-thiophen-3-ylpropanamide (CID 71993648) is N-[2-(1,1-dioxothiolan-3-yl)pyrazol-3-yl]-3-thiophen-3-ylpropanamide.
What is the SMILES notation for N-[2-(1,1-dioxothiolan-3-yl)pyrazol-3-yl]-3-thiophen-3-ylpropanamide?
The canonical SMILES for N-[2-(1,1-dioxothiolan-3-yl)pyrazol-3-yl]-3-thiophen-3-ylpropanamide is O=C(CCc1ccsc1)Nc1ccnn1C1CCS(=O)(=O)C1.
What is the InChIKey of N-[2-(1,1-dioxothiolan-3-yl)pyrazol-3-yl]-3-thiophen-3-ylpropanamide?
The InChIKey is KBVYDCAVEHTQHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S2/c18-14(2-1-11-4-7-21-9-11)16-13-3-6-15-17(13)12-5-8-22(19,20)10-12/h3-4,6-7,9,12H,1-2,5,8,10H2,(H,16,18).
What are the key properties of N-[2-(1,1-dioxothiolan-3-yl)pyrazol-3-yl]-3-thiophen-3-ylpropanamide?
N-[2-(1,1-dioxothiolan-3-yl)pyrazol-3-yl]-3-thiophen-3-ylpropanamide has a molecular weight of 339.44 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,1-dioxothiolan-3-yl)pyrazol-3-yl]-3-thiophen-3-ylpropanamide is sourced from PubChem (CID 71993648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).