4-(3,4-dimethoxypyrrolidin-1-yl)sulfonyl-3,5-dimethyl-1H-pyrazole

C11H19N3O4S — CID 103536788

IUPAC4-(3,4-dimethoxypyrrolidin-1-yl)sulfonyl-3,5-dimethyl-1H-pyrazole
SMILESCOC1CN(S(=O)(=O)c2c(C)n[nH]c2C)CC1OC
InChIInChI=1S/C11H19N3O4S/c1-7-11(8(2)13-12-7)19(15,16)14-5-9(17-3)10(6-14)18-4/h9-10H,5-6H2,1-4H3,(H,12,13)
InChIKeyYPZYJLKTGXFMOX-UHFFFAOYSA-N
MW289.36 g/mol
LogP0.06
Rot. Bonds4

About 4-(3,4-dimethoxypyrrolidin-1-yl)sulfonyl-3,5-dimethyl-1H-pyrazole

4-(3,4-dimethoxypyrrolidin-1-yl)sulfonyl-3,5-dimethyl-1H-pyrazole (PubChem CID 103536788) has the molecular formula C11H19N3O4S and a molecular weight of 289.36 g/mol. Its IUPAC name is 4-(3,4-dimethoxypyrrolidin-1-yl)sulfonyl-3,5-dimethyl-1H-pyrazole.

Molecular Properties

Compound Name4-(3,4-dimethoxypyrrolidin-1-yl)sulfonyl-3,5-dimethyl-1H-pyrazole
PubChem CID103536788
Molecular FormulaC11H19N3O4S
Molecular Weight289.36 g/mol
Exact Mass289.11
IUPAC Name4-(3,4-dimethoxypyrrolidin-1-yl)sulfonyl-3,5-dimethyl-1H-pyrazole
SMILESCOC1CN(S(=O)(=O)c2c(C)n[nH]c2C)CC1OC
InChIInChI=1S/C11H19N3O4S/c1-7-11(8(2)13-12-7)19(15,16)14-5-9(17-3)10(6-14)18-4/h9-10H,5-6H2,1-4H3,(H,12,13)
InChIKeyYPZYJLKTGXFMOX-UHFFFAOYSA-N
XLogP0.06
TPSA84.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(3,4-dimethoxypyrrolidin-1-yl)sulfonyl-3,5-dimethyl-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

Related Compounds

4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2,6-dimethylmorpholine
CID 16767831
3,5-dimethyl-4-pyrrolidin-1-ylsulfonyl-1H-pyrazole
CID 4736860
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-[(1R,2R)-2-methoxycyclopentyl]piperidin-4-amine
CID 128551051
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methylsulfonylpiperazine
CID 60700150
(6R)-4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-6-methylpiperazin-2-one
CID 131922749
(4aS,7aS)-6-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102681096
methyl (3S)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-3-carboxylate
CID 115536279
3-chloro-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methylpiperidine
CID 102962583
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methylpiperidin-3-ol
CID 103914983
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-pyrrol-1-ylpiperidine
CID 110721365
2-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]oxyethanamine
CID 82692274
3-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-1,3-thiazolidine
CID 122332190

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethoxypyrrolidin-1-yl)sulfonyl-3,5-dimethyl-1H-pyrazole?
The IUPAC name of 4-(3,4-dimethoxypyrrolidin-1-yl)sulfonyl-3,5-dimethyl-1H-pyrazole (CID 103536788) is 4-(3,4-dimethoxypyrrolidin-1-yl)sulfonyl-3,5-dimethyl-1H-pyrazole.
What is the SMILES notation for 4-(3,4-dimethoxypyrrolidin-1-yl)sulfonyl-3,5-dimethyl-1H-pyrazole?
The canonical SMILES for 4-(3,4-dimethoxypyrrolidin-1-yl)sulfonyl-3,5-dimethyl-1H-pyrazole is COC1CN(S(=O)(=O)c2c(C)n[nH]c2C)CC1OC.
What is the InChIKey of 4-(3,4-dimethoxypyrrolidin-1-yl)sulfonyl-3,5-dimethyl-1H-pyrazole?
The InChIKey is YPZYJLKTGXFMOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O4S/c1-7-11(8(2)13-12-7)19(15,16)14-5-9(17-3)10(6-14)18-4/h9-10H,5-6H2,1-4H3,(H,12,13).
What are the key properties of 4-(3,4-dimethoxypyrrolidin-1-yl)sulfonyl-3,5-dimethyl-1H-pyrazole?
4-(3,4-dimethoxypyrrolidin-1-yl)sulfonyl-3,5-dimethyl-1H-pyrazole has a molecular weight of 289.36 g/mol, XLogP of 0.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethoxypyrrolidin-1-yl)sulfonyl-3,5-dimethyl-1H-pyrazole is sourced from PubChem (CID 103536788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).