3-(3-methoxy-3-methylpiperidine-1-carbonyl)-5-methyl-1H-pyrazole-4-sulfonamide

C12H20N4O4S — CID 107396037

IUPAC3-(3-methoxy-3-methylpiperidine-1-carbonyl)-5-methyl-1H-pyrazole-4-sulfonamide
SMILESCOC1(C)CCCN(C(=O)c2n[nH]c(C)c2S(N)(=O)=O)C1
InChIInChI=1S/C12H20N4O4S/c1-8-10(21(13,18)19)9(15-14-8)11(17)16-6-4-5-12(2,7-16)20-3/h4-7H2,1-3H3,(H,14,15)(H2,13,18,19)
InChIKeyOBPNPNGLXRXICF-UHFFFAOYSA-N
MW316.38 g/mol
LogP0.01
Rot. Bonds3

About 3-(3-methoxy-3-methylpiperidine-1-carbonyl)-5-methyl-1H-pyrazole-4-sulfonamide

3-(3-methoxy-3-methylpiperidine-1-carbonyl)-5-methyl-1H-pyrazole-4-sulfonamide (PubChem CID 107396037) has the molecular formula C12H20N4O4S and a molecular weight of 316.38 g/mol. Its IUPAC name is 3-(3-methoxy-3-methylpiperidine-1-carbonyl)-5-methyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-(3-methoxy-3-methylpiperidine-1-carbonyl)-5-methyl-1H-pyrazole-4-sulfonamide
PubChem CID107396037
Molecular FormulaC12H20N4O4S
Molecular Weight316.38 g/mol
Exact Mass316.12
IUPAC Name3-(3-methoxy-3-methylpiperidine-1-carbonyl)-5-methyl-1H-pyrazole-4-sulfonamide
SMILESCOC1(C)CCCN(C(=O)c2n[nH]c(C)c2S(N)(=O)=O)C1
InChIInChI=1S/C12H20N4O4S/c1-8-10(21(13,18)19)9(15-14-8)11(17)16-6-4-5-12(2,7-16)20-3/h4-7H2,1-3H3,(H,14,15)(H2,13,18,19)
InChIKeyOBPNPNGLXRXICF-UHFFFAOYSA-N
XLogP0.01
TPSA118.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-(3-methoxy-3-methylpiperidine-1-carbonyl)-5-methyl-1H-pyrazole-4-sulfonamide 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

(3-amino-5-methyl-1H-pyrazol-4-yl)-(3-methoxy-3-methylpiperidin-1-yl)methanone
CID 107394147
3-(azocane-1-carbonyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 65374466
(5-amino-1H-pyrazol-4-yl)-(3-methoxy-3-methylpiperidin-1-yl)methanone
CID 107394146
(4-amino-1-ethylpyrazol-3-yl)-(3-methoxy-3-methylpiperidin-1-yl)methanone
CID 107390347
3-(azepane-1-carbonyl)-5-methyl-1H-pyrazole-4-sulfonyl chloride
CID 65367872
(4-hydroxy-3-methylphenyl)-(3-methoxy-3-methylpiperidin-1-yl)methanone
CID 107470864
(5-amino-1,3,4-thiadiazol-2-yl)-(3-methoxy-3-methylpiperidin-1-yl)methanone
CID 107394925
5-methyl-3-(2-methylpiperidine-1-carbonyl)-1H-pyrazole-4-sulfonamide
CID 65373616
1-[4-(3-methoxy-3-methylpiperidin-1-yl)sulfonyl-5-methyl-1H-pyrazol-3-yl]-N-methylmethanamine
CID 107396177
(4-hydroxyphenyl)-(3-methoxy-3-methylpiperidin-1-yl)methanone
CID 107392960
(4-bromo-3-hydroxyphenyl)-(3-methoxy-3-methylpiperidin-1-yl)methanone
CID 107470874
2-methoxy-1-(3-methoxy-3-methylpiperidin-1-yl)ethanone
CID 107395939

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxy-3-methylpiperidine-1-carbonyl)-5-methyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of 3-(3-methoxy-3-methylpiperidine-1-carbonyl)-5-methyl-1H-pyrazole-4-sulfonamide (CID 107396037) is 3-(3-methoxy-3-methylpiperidine-1-carbonyl)-5-methyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 3-(3-methoxy-3-methylpiperidine-1-carbonyl)-5-methyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 3-(3-methoxy-3-methylpiperidine-1-carbonyl)-5-methyl-1H-pyrazole-4-sulfonamide is COC1(C)CCCN(C(=O)c2n[nH]c(C)c2S(N)(=O)=O)C1.
What is the InChIKey of 3-(3-methoxy-3-methylpiperidine-1-carbonyl)-5-methyl-1H-pyrazole-4-sulfonamide?
The InChIKey is OBPNPNGLXRXICF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O4S/c1-8-10(21(13,18)19)9(15-14-8)11(17)16-6-4-5-12(2,7-16)20-3/h4-7H2,1-3H3,(H,14,15)(H2,13,18,19).
What are the key properties of 3-(3-methoxy-3-methylpiperidine-1-carbonyl)-5-methyl-1H-pyrazole-4-sulfonamide?
3-(3-methoxy-3-methylpiperidine-1-carbonyl)-5-methyl-1H-pyrazole-4-sulfonamide has a molecular weight of 316.38 g/mol, XLogP of 0.01, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxy-3-methylpiperidine-1-carbonyl)-5-methyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 107396037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).