methanamine;4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-1H-pyrazole

C14H19N3O2S — CID 143248303

IUPACmethanamine;4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-1H-pyrazole
SMILESCN.O=S(=O)(c1cn[nH]c1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C13H14N2O2S.CH5N/c16-18(17,13-8-14-15-9-13)12-6-5-10-3-1-2-4-11(10)7-12;1-2/h5-9H,1-4H2,(H,14,15);2H2,1H3
InChIKeyWJNOLGLXCDWRPG-UHFFFAOYSA-N
MW293.39 g/mol
LogP1.70
Rot. Bonds2

About methanamine;4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-1H-pyrazole

methanamine;4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-1H-pyrazole (PubChem CID 143248303) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is methanamine;4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-1H-pyrazole.

Molecular Properties

Compound Namemethanamine;4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-1H-pyrazole
PubChem CID143248303
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC Namemethanamine;4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-1H-pyrazole
SMILESCN.O=S(=O)(c1cn[nH]c1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C13H14N2O2S.CH5N/c16-18(17,13-8-14-15-9-13)12-6-5-10-3-1-2-4-11(10)7-12;1-2/h5-9H,1-4H2,(H,14,15);2H2,1H3
InChIKeyWJNOLGLXCDWRPG-UHFFFAOYSA-N
XLogP1.70
TPSA88.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methanamine;4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-1H-pyrazole 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 methanamine;4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-1H-pyrazole?
The IUPAC name of methanamine;4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-1H-pyrazole (CID 143248303) is methanamine;4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-1H-pyrazole.
What is the SMILES notation for methanamine;4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-1H-pyrazole?
The canonical SMILES for methanamine;4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-1H-pyrazole is CN.O=S(=O)(c1cn[nH]c1)c1ccc2c(c1)CCCC2.
What is the InChIKey of methanamine;4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-1H-pyrazole?
The InChIKey is WJNOLGLXCDWRPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2S.CH5N/c16-18(17,13-8-14-15-9-13)12-6-5-10-3-1-2-4-11(10)7-12;1-2/h5-9H,1-4H2,(H,14,15);2H2,1H3.
What are the key properties of methanamine;4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-1H-pyrazole?
methanamine;4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-1H-pyrazole has a molecular weight of 293.39 g/mol, XLogP of 1.70, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methanamine;4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-1H-pyrazole is sourced from PubChem (CID 143248303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).