N-[2-(1,1-dioxothiolan-3-yl)-5-methylpyrazol-3-yl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide

C19H23N3O3S — CID 75871107

IUPACN-[2-(1,1-dioxothiolan-3-yl)-5-methylpyrazol-3-yl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
SMILESCc1cc(NC(=O)C2CCCc3ccccc32)n(C2CCS(=O)(=O)C2)n1
InChIInChI=1S/C19H23N3O3S/c1-13-11-18(22(21-13)15-9-10-26(24,25)12-15)20-19(23)17-8-4-6-14-5-2-3-7-16(14)17/h2-3,5,7,11,15,17H,4,6,8-10,12H2,1H3,(H,20,23)
InChIKeyBEESMEGWGHGBIO-UHFFFAOYSA-N
MW373.48 g/mol
LogP2.61
Rot. Bonds3

About N-[2-(1,1-dioxothiolan-3-yl)-5-methylpyrazol-3-yl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide

N-[2-(1,1-dioxothiolan-3-yl)-5-methylpyrazol-3-yl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide (PubChem CID 75871107) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is N-[2-(1,1-dioxothiolan-3-yl)-5-methylpyrazol-3-yl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[2-(1,1-dioxothiolan-3-yl)-5-methylpyrazol-3-yl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
PubChem CID75871107
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC NameN-[2-(1,1-dioxothiolan-3-yl)-5-methylpyrazol-3-yl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
SMILESCc1cc(NC(=O)C2CCCc3ccccc32)n(C2CCS(=O)(=O)C2)n1
InChIInChI=1S/C19H23N3O3S/c1-13-11-18(22(21-13)15-9-10-26(24,25)12-15)20-19(23)17-8-4-6-14-5-2-3-7-16(14)17/h2-3,5,7,11,15,17H,4,6,8-10,12H2,1H3,(H,20,23)
InChIKeyBEESMEGWGHGBIO-UHFFFAOYSA-N
XLogP2.61
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-(1,1-dioxothiolan-3-yl)-5-methylpyrazol-3-yl]-1,2,3,4-tetrahydronaphthalene-1-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 N-[2-(1,1-dioxothiolan-3-yl)-5-methylpyrazol-3-yl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The IUPAC name of N-[2-(1,1-dioxothiolan-3-yl)-5-methylpyrazol-3-yl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide (CID 75871107) is N-[2-(1,1-dioxothiolan-3-yl)-5-methylpyrazol-3-yl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide.
What is the SMILES notation for N-[2-(1,1-dioxothiolan-3-yl)-5-methylpyrazol-3-yl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The canonical SMILES for N-[2-(1,1-dioxothiolan-3-yl)-5-methylpyrazol-3-yl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide is Cc1cc(NC(=O)C2CCCc3ccccc32)n(C2CCS(=O)(=O)C2)n1.
What is the InChIKey of N-[2-(1,1-dioxothiolan-3-yl)-5-methylpyrazol-3-yl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The InChIKey is BEESMEGWGHGBIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3S/c1-13-11-18(22(21-13)15-9-10-26(24,25)12-15)20-19(23)17-8-4-6-14-5-2-3-7-16(14)17/h2-3,5,7,11,15,17H,4,6,8-10,12H2,1H3,(H,20,23).
What are the key properties of N-[2-(1,1-dioxothiolan-3-yl)-5-methylpyrazol-3-yl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
N-[2-(1,1-dioxothiolan-3-yl)-5-methylpyrazol-3-yl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide has a molecular weight of 373.48 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,1-dioxothiolan-3-yl)-5-methylpyrazol-3-yl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide is sourced from PubChem (CID 75871107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).