N-[2-[(3-methylthiophen-2-yl)methyl]pyrazol-3-yl]propane-1-sulfonamide

C12H17N3O2S2 — CID 75446155

IUPACN-[2-[(3-methylthiophen-2-yl)methyl]pyrazol-3-yl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccnn1Cc1sccc1C
InChIInChI=1S/C12H17N3O2S2/c1-3-8-19(16,17)14-12-4-6-13-15(12)9-11-10(2)5-7-18-11/h4-7,14H,3,8-9H2,1-2H3
InChIKeyDVSPCAMLVKNIDE-UHFFFAOYSA-N
MW299.42 g/mol
LogP2.45
Rot. Bonds6

About N-[2-[(3-methylthiophen-2-yl)methyl]pyrazol-3-yl]propane-1-sulfonamide

N-[2-[(3-methylthiophen-2-yl)methyl]pyrazol-3-yl]propane-1-sulfonamide (PubChem CID 75446155) has the molecular formula C12H17N3O2S2 and a molecular weight of 299.42 g/mol. Its IUPAC name is N-[2-[(3-methylthiophen-2-yl)methyl]pyrazol-3-yl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[2-[(3-methylthiophen-2-yl)methyl]pyrazol-3-yl]propane-1-sulfonamide
PubChem CID75446155
Molecular FormulaC12H17N3O2S2
Molecular Weight299.42 g/mol
Exact Mass299.08
IUPAC NameN-[2-[(3-methylthiophen-2-yl)methyl]pyrazol-3-yl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccnn1Cc1sccc1C
InChIInChI=1S/C12H17N3O2S2/c1-3-8-19(16,17)14-12-4-6-13-15(12)9-11-10(2)5-7-18-11/h4-7,14H,3,8-9H2,1-2H3
InChIKeyDVSPCAMLVKNIDE-UHFFFAOYSA-N
XLogP2.45
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-[(3-methylthiophen-2-yl)methyl]pyrazol-3-yl]propane-1-sulfonamide 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

1-(thiophen-2-ylmethyl)-1H-pyrazol-5-amine
CID 2517659
1-[(3-methylthiophen-2-yl)methyl]-1H-pyrazol-5-amine
CID 2535078
1-(2-methoxyethyl)-N-[(3-methylthiophen-2-yl)methyl]pyrazol-3-amine
CID 71855066
1-(1-thien-2-ylethyl)-1H-pyrazol-5-amine
CID 3154158
N-[1-(3-fluorobenzyl)-1H-pyrazol-3-yl]thiophene-2-sulfonamide
CID 4775894
N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]thiophene-2-sulfonamide
CID 22203560
N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]thiophene-2-sulfonamide
CID 22204993
N-[1-[(2,3,5,6-tetrafluorophenyl)methyl]pyrazol-3-yl]thiophene-2-sulfonamide
CID 22205603
N-[1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrazol-3-yl]thiophene-2-sulfonamide
CID 22205650
4-fluoro-N-[2-(thiophen-3-ylmethyl)pyrazol-3-yl]benzenesulfonamide
CID 53609115
3-fluoro-N-[2-(thiophen-3-ylmethyl)pyrazol-3-yl]benzenesulfonamide
CID 53615801
1-(2-fluoroethyl)-4-methyl-N-[(thiophen-2-yl)methyl]-1H-pyrazol-5-amine
CID 122168697

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-methylthiophen-2-yl)methyl]pyrazol-3-yl]propane-1-sulfonamide?
The IUPAC name of N-[2-[(3-methylthiophen-2-yl)methyl]pyrazol-3-yl]propane-1-sulfonamide (CID 75446155) is N-[2-[(3-methylthiophen-2-yl)methyl]pyrazol-3-yl]propane-1-sulfonamide.
What is the SMILES notation for N-[2-[(3-methylthiophen-2-yl)methyl]pyrazol-3-yl]propane-1-sulfonamide?
The canonical SMILES for N-[2-[(3-methylthiophen-2-yl)methyl]pyrazol-3-yl]propane-1-sulfonamide is CCCS(=O)(=O)Nc1ccnn1Cc1sccc1C.
What is the InChIKey of N-[2-[(3-methylthiophen-2-yl)methyl]pyrazol-3-yl]propane-1-sulfonamide?
The InChIKey is DVSPCAMLVKNIDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2S2/c1-3-8-19(16,17)14-12-4-6-13-15(12)9-11-10(2)5-7-18-11/h4-7,14H,3,8-9H2,1-2H3.
What are the key properties of N-[2-[(3-methylthiophen-2-yl)methyl]pyrazol-3-yl]propane-1-sulfonamide?
N-[2-[(3-methylthiophen-2-yl)methyl]pyrazol-3-yl]propane-1-sulfonamide has a molecular weight of 299.42 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-methylthiophen-2-yl)methyl]pyrazol-3-yl]propane-1-sulfonamide is sourced from PubChem (CID 75446155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).