3,5-dimethyl-N-(2-methylsulfonylcyclopentyl)-1H-pyrazol-4-amine

C11H19N3O2S — CID 65044159

IUPAC3,5-dimethyl-N-(2-methylsulfonylcyclopentyl)-1H-pyrazol-4-amine
SMILESCc1n[nH]c(C)c1NC1CCCC1S(C)(=O)=O
InChIInChI=1S/C11H19N3O2S/c1-7-11(8(2)14-13-7)12-9-5-4-6-10(9)17(3,15)16/h9-10,12H,4-6H2,1-3H3,(H,13,14)
InChIKeyKDGYRANESIZFQO-UHFFFAOYSA-N
MW257.36 g/mol
LogP1.40
Rot. Bonds3

About 3,5-dimethyl-N-(2-methylsulfonylcyclopentyl)-1H-pyrazol-4-amine

3,5-dimethyl-N-(2-methylsulfonylcyclopentyl)-1H-pyrazol-4-amine (PubChem CID 65044159) has the molecular formula C11H19N3O2S and a molecular weight of 257.36 g/mol. Its IUPAC name is 3,5-dimethyl-N-(2-methylsulfonylcyclopentyl)-1H-pyrazol-4-amine.

Molecular Properties

Compound Name3,5-dimethyl-N-(2-methylsulfonylcyclopentyl)-1H-pyrazol-4-amine
PubChem CID65044159
Molecular FormulaC11H19N3O2S
Molecular Weight257.36 g/mol
Exact Mass257.12
IUPAC Name3,5-dimethyl-N-(2-methylsulfonylcyclopentyl)-1H-pyrazol-4-amine
SMILESCc1n[nH]c(C)c1NC1CCCC1S(C)(=O)=O
InChIInChI=1S/C11H19N3O2S/c1-7-11(8(2)14-13-7)12-9-5-4-6-10(9)17(3,15)16/h9-10,12H,4-6H2,1-3H3,(H,13,14)
InChIKeyKDGYRANESIZFQO-UHFFFAOYSA-N
XLogP1.40
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-(2-methylsulfonylcyclopentyl)-1H-pyrazol-4-amine?
The IUPAC name of 3,5-dimethyl-N-(2-methylsulfonylcyclopentyl)-1H-pyrazol-4-amine (CID 65044159) is 3,5-dimethyl-N-(2-methylsulfonylcyclopentyl)-1H-pyrazol-4-amine.
What is the SMILES notation for 3,5-dimethyl-N-(2-methylsulfonylcyclopentyl)-1H-pyrazol-4-amine?
The canonical SMILES for 3,5-dimethyl-N-(2-methylsulfonylcyclopentyl)-1H-pyrazol-4-amine is Cc1n[nH]c(C)c1NC1CCCC1S(C)(=O)=O.
What is the InChIKey of 3,5-dimethyl-N-(2-methylsulfonylcyclopentyl)-1H-pyrazol-4-amine?
The InChIKey is KDGYRANESIZFQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2S/c1-7-11(8(2)14-13-7)12-9-5-4-6-10(9)17(3,15)16/h9-10,12H,4-6H2,1-3H3,(H,13,14).
What are the key properties of 3,5-dimethyl-N-(2-methylsulfonylcyclopentyl)-1H-pyrazol-4-amine?
3,5-dimethyl-N-(2-methylsulfonylcyclopentyl)-1H-pyrazol-4-amine has a molecular weight of 257.36 g/mol, XLogP of 1.40, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-(2-methylsulfonylcyclopentyl)-1H-pyrazol-4-amine is sourced from PubChem (CID 65044159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).