1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-methylsulfonylethanamine

C9H16ClN3O2S — CID 105041731

IUPAC1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-methylsulfonylethanamine
SMILESCC(C)n1ncc(Cl)c1C(N)CS(C)(=O)=O
InChIInChI=1S/C9H16ClN3O2S/c1-6(2)13-9(7(10)4-12-13)8(11)5-16(3,14)15/h4,6,8H,5,11H2,1-3H3
InChIKeyVHJUFNBCZDMNOZ-UHFFFAOYSA-N
MW265.77 g/mol
LogP1.16
Rot. Bonds4

About 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-methylsulfonylethanamine

1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-methylsulfonylethanamine (PubChem CID 105041731) has the molecular formula C9H16ClN3O2S and a molecular weight of 265.77 g/mol. Its IUPAC name is 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-methylsulfonylethanamine.

Molecular Properties

Compound Name1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-methylsulfonylethanamine
PubChem CID105041731
Molecular FormulaC9H16ClN3O2S
Molecular Weight265.77 g/mol
Exact Mass265.07
IUPAC Name1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-methylsulfonylethanamine
SMILESCC(C)n1ncc(Cl)c1C(N)CS(C)(=O)=O
InChIInChI=1S/C9H16ClN3O2S/c1-6(2)13-9(7(10)4-12-13)8(11)5-16(3,14)15/h4,6,8H,5,11H2,1-3H3
InChIKeyVHJUFNBCZDMNOZ-UHFFFAOYSA-N
XLogP1.16
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.77
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-methylsulfonylethanamine 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-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-ethoxyethanamine
CID 114655949
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-(3,4-dichlorophenyl)ethanamine
CID 114649247
2-amino-1-(4-chloro-1-propan-2-ylpyrazol-5-yl)propan-1-ol
CID 164658431
(4-chloro-1-propan-2-ylpyrazol-5-yl)-(3-methylsulfonylphenyl)methanamine
CID 105041737
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-thiophen-3-ylethanamine
CID 105183708
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-ethoxypropan-1-amine
CID 114652830
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-(3-fluorophenyl)ethanamine
CID 114648271
4-(4-chloro-1-propan-2-ylpyrazol-5-yl)pentan-2-one
CID 114663646
2-(2-bicyclo[2.2.1]heptanyl)-1-(4-chloro-1-propan-2-ylpyrazol-5-yl)ethanamine
CID 105041938
(4-chloro-1-propan-2-ylpyrazol-5-yl)-(4-ethylphenyl)methanamine
CID 114646624
1-adamantyl-(4-chloro-1-propan-2-ylpyrazol-5-yl)methanamine
CID 114649892
[1-(4-chloro-1-ethylpyrazol-5-yl)-2-methylsulfonylethyl]hydrazine
CID 105336459

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-methylsulfonylethanamine?
The IUPAC name of 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-methylsulfonylethanamine (CID 105041731) is 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-methylsulfonylethanamine.
What is the SMILES notation for 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-methylsulfonylethanamine?
The canonical SMILES for 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-methylsulfonylethanamine is CC(C)n1ncc(Cl)c1C(N)CS(C)(=O)=O.
What is the InChIKey of 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-methylsulfonylethanamine?
The InChIKey is VHJUFNBCZDMNOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16ClN3O2S/c1-6(2)13-9(7(10)4-12-13)8(11)5-16(3,14)15/h4,6,8H,5,11H2,1-3H3.
What are the key properties of 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-methylsulfonylethanamine?
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-methylsulfonylethanamine has a molecular weight of 265.77 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-methylsulfonylethanamine is sourced from PubChem (CID 105041731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).