4-(3,4-dimethoxypyrrolidin-1-yl)sulfonyl-1,5-dimethylpyrazol-3-amine

C11H20N4O4S — CID 103530303

IUPAC4-(3,4-dimethoxypyrrolidin-1-yl)sulfonyl-1,5-dimethylpyrazol-3-amine
SMILESCOC1CN(S(=O)(=O)c2c(N)nn(C)c2C)CC1OC
InChIInChI=1S/C11H20N4O4S/c1-7-10(11(12)13-14(7)2)20(16,17)15-5-8(18-3)9(6-15)19-4/h8-9H,5-6H2,1-4H3,(H2,12,13)
InChIKeyRPJUPXUSQYOKSI-UHFFFAOYSA-N
MW304.37 g/mol
LogP-0.65
Rot. Bonds4

About 4-(3,4-dimethoxypyrrolidin-1-yl)sulfonyl-1,5-dimethylpyrazol-3-amine

4-(3,4-dimethoxypyrrolidin-1-yl)sulfonyl-1,5-dimethylpyrazol-3-amine (PubChem CID 103530303) has the molecular formula C11H20N4O4S and a molecular weight of 304.37 g/mol. Its IUPAC name is 4-(3,4-dimethoxypyrrolidin-1-yl)sulfonyl-1,5-dimethylpyrazol-3-amine.

Molecular Properties

Compound Name4-(3,4-dimethoxypyrrolidin-1-yl)sulfonyl-1,5-dimethylpyrazol-3-amine
PubChem CID103530303
Molecular FormulaC11H20N4O4S
Molecular Weight304.37 g/mol
Exact Mass304.12
IUPAC Name4-(3,4-dimethoxypyrrolidin-1-yl)sulfonyl-1,5-dimethylpyrazol-3-amine
SMILESCOC1CN(S(=O)(=O)c2c(N)nn(C)c2C)CC1OC
InChIInChI=1S/C11H20N4O4S/c1-7-10(11(12)13-14(7)2)20(16,17)15-5-8(18-3)9(6-15)19-4/h8-9H,5-6H2,1-4H3,(H2,12,13)
InChIKeyRPJUPXUSQYOKSI-UHFFFAOYSA-N
XLogP-0.65
TPSA99.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 5-0.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-amino-N-[2-(2,2-difluoroethoxy)ethyl]-1,5-dimethylpyrazole-4-sulfonamide
CID 105905396
3-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 107478051
5-amino-N-(3-ethoxypropyl)-1,3-dimethylpyrazole-4-sulfonamide
CID 82460007
5-amino-1,3-dimethyl-N-(3-propan-2-yloxypropyl)pyrazole-4-sulfonamide
CID 82460008
5-amino-N-(2-methoxyethyl)-1,3-dimethylpyrazole-4-sulfonamide
CID 82460020
5-amino-1,3-dimethyl-N-(oxolan-2-ylmethyl)pyrazole-4-sulfonamide
CID 82460021
5-amino-N-(3-methoxypropyl)-1,3-dimethylpyrazole-4-sulfonamide
CID 82460030
1,5-Dimethyl-4-(2,2,6,6-tetramethylmorpholin-4-yl)sulfonylpyrazol-3-amine
CID 102742714
3-amino-N-cyclobutyl-N-(2-hydroxyethyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 102859130
[4-(3-Amino-1,5-dimethylpyrazol-4-yl)sulfonyl-6-methylmorpholin-2-yl]methanol
CID 102931816
4-(3-Methoxy-4-methylpiperidin-1-yl)sulfonyl-1,5-dimethylpyrazol-3-amine
CID 102955223
4-(3-Methoxypiperidin-1-yl)sulfonyl-1,5-dimethylpyrazol-3-amine
CID 102955313

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethoxypyrrolidin-1-yl)sulfonyl-1,5-dimethylpyrazol-3-amine?
The IUPAC name of 4-(3,4-dimethoxypyrrolidin-1-yl)sulfonyl-1,5-dimethylpyrazol-3-amine (CID 103530303) is 4-(3,4-dimethoxypyrrolidin-1-yl)sulfonyl-1,5-dimethylpyrazol-3-amine.
What is the SMILES notation for 4-(3,4-dimethoxypyrrolidin-1-yl)sulfonyl-1,5-dimethylpyrazol-3-amine?
The canonical SMILES for 4-(3,4-dimethoxypyrrolidin-1-yl)sulfonyl-1,5-dimethylpyrazol-3-amine is COC1CN(S(=O)(=O)c2c(N)nn(C)c2C)CC1OC.
What is the InChIKey of 4-(3,4-dimethoxypyrrolidin-1-yl)sulfonyl-1,5-dimethylpyrazol-3-amine?
The InChIKey is RPJUPXUSQYOKSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O4S/c1-7-10(11(12)13-14(7)2)20(16,17)15-5-8(18-3)9(6-15)19-4/h8-9H,5-6H2,1-4H3,(H2,12,13).
What are the key properties of 4-(3,4-dimethoxypyrrolidin-1-yl)sulfonyl-1,5-dimethylpyrazol-3-amine?
4-(3,4-dimethoxypyrrolidin-1-yl)sulfonyl-1,5-dimethylpyrazol-3-amine has a molecular weight of 304.37 g/mol, XLogP of -0.65, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethoxypyrrolidin-1-yl)sulfonyl-1,5-dimethylpyrazol-3-amine is sourced from PubChem (CID 103530303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).