1,5-dimethyl-3-(2-methylpropylsulfonyl)pyrazol-4-amine

C9H17N3O2S — CID 138597262

IUPAC1,5-dimethyl-3-(2-methylpropylsulfonyl)pyrazol-4-amine
SMILESCc1c(N)c(S(=O)(=O)CC(C)C)nn1C
InChIInChI=1S/C9H17N3O2S/c1-6(2)5-15(13,14)9-8(10)7(3)12(4)11-9/h6H,5,10H2,1-4H3
InChIKeyUQBSDXZRMDMRHD-UHFFFAOYSA-N
MW231.32 g/mol
LogP0.74
Rot. Bonds3

About 1,5-dimethyl-3-(2-methylpropylsulfonyl)pyrazol-4-amine

1,5-dimethyl-3-(2-methylpropylsulfonyl)pyrazol-4-amine (PubChem CID 138597262) has the molecular formula C9H17N3O2S and a molecular weight of 231.32 g/mol. Its IUPAC name is 1,5-dimethyl-3-(2-methylpropylsulfonyl)pyrazol-4-amine.

Molecular Properties

Compound Name1,5-dimethyl-3-(2-methylpropylsulfonyl)pyrazol-4-amine
PubChem CID138597262
Molecular FormulaC9H17N3O2S
Molecular Weight231.32 g/mol
Exact Mass231.10
IUPAC Name1,5-dimethyl-3-(2-methylpropylsulfonyl)pyrazol-4-amine
SMILESCc1c(N)c(S(=O)(=O)CC(C)C)nn1C
InChIInChI=1S/C9H17N3O2S/c1-6(2)5-15(13,14)9-8(10)7(3)12(4)11-9/h6H,5,10H2,1-4H3
InChIKeyUQBSDXZRMDMRHD-UHFFFAOYSA-N
XLogP0.74
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-3-(2-methylpropylsulfonyl)pyrazol-4-amine?
The IUPAC name of 1,5-dimethyl-3-(2-methylpropylsulfonyl)pyrazol-4-amine (CID 138597262) is 1,5-dimethyl-3-(2-methylpropylsulfonyl)pyrazol-4-amine.
What is the SMILES notation for 1,5-dimethyl-3-(2-methylpropylsulfonyl)pyrazol-4-amine?
The canonical SMILES for 1,5-dimethyl-3-(2-methylpropylsulfonyl)pyrazol-4-amine is Cc1c(N)c(S(=O)(=O)CC(C)C)nn1C.
What is the InChIKey of 1,5-dimethyl-3-(2-methylpropylsulfonyl)pyrazol-4-amine?
The InChIKey is UQBSDXZRMDMRHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2S/c1-6(2)5-15(13,14)9-8(10)7(3)12(4)11-9/h6H,5,10H2,1-4H3.
What are the key properties of 1,5-dimethyl-3-(2-methylpropylsulfonyl)pyrazol-4-amine?
1,5-dimethyl-3-(2-methylpropylsulfonyl)pyrazol-4-amine has a molecular weight of 231.32 g/mol, XLogP of 0.74, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-3-(2-methylpropylsulfonyl)pyrazol-4-amine is sourced from PubChem (CID 138597262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).