3-amino-N-methyl-N-(1-methylpiperidin-4-yl)-1-propylpyrazole-4-sulfonamide

C13H25N5O2S — CID 60814704

IUPAC3-amino-N-methyl-N-(1-methylpiperidin-4-yl)-1-propylpyrazole-4-sulfonamide
SMILESCCCn1cc(S(=O)(=O)N(C)C2CCN(C)CC2)c(N)n1
InChIInChI=1S/C13H25N5O2S/c1-4-7-18-10-12(13(14)15-18)21(19,20)17(3)11-5-8-16(2)9-6-11/h10-11H,4-9H2,1-3H3,(H2,14,15)
InChIKeyKBZCLEAHCGCSBU-UHFFFAOYSA-N
MW315.44 g/mol
LogP0.59
Rot. Bonds5

About 3-amino-N-methyl-N-(1-methylpiperidin-4-yl)-1-propylpyrazole-4-sulfonamide

3-amino-N-methyl-N-(1-methylpiperidin-4-yl)-1-propylpyrazole-4-sulfonamide (PubChem CID 60814704) has the molecular formula C13H25N5O2S and a molecular weight of 315.44 g/mol. Its IUPAC name is 3-amino-N-methyl-N-(1-methylpiperidin-4-yl)-1-propylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-N-methyl-N-(1-methylpiperidin-4-yl)-1-propylpyrazole-4-sulfonamide
PubChem CID60814704
Molecular FormulaC13H25N5O2S
Molecular Weight315.44 g/mol
Exact Mass315.17
IUPAC Name3-amino-N-methyl-N-(1-methylpiperidin-4-yl)-1-propylpyrazole-4-sulfonamide
SMILESCCCn1cc(S(=O)(=O)N(C)C2CCN(C)CC2)c(N)n1
InChIInChI=1S/C13H25N5O2S/c1-4-7-18-10-12(13(14)15-18)21(19,20)17(3)11-5-8-16(2)9-6-11/h10-11H,4-9H2,1-3H3,(H2,14,15)
InChIKeyKBZCLEAHCGCSBU-UHFFFAOYSA-N
XLogP0.59
TPSA84.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-N-cyclopentyl-1-ethyl-N-methylpyrazole-4-sulfonamide
CID 60808791
3-amino-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-1-propylpyrazole-4-sulfonamide
CID 79304613
3-amino-N-(1-methylpyrrolidin-3-yl)-1-propylpyrazole-4-sulfonamide
CID 61462052
3-amino-N,1-dimethyl-N-(4-methylcyclohexyl)pyrazole-4-sulfonamide
CID 61106043
2-[(3-amino-1-propylpyrazol-4-yl)sulfonyl-methylamino]-N,N-dimethylacetamide
CID 60808306
3-amino-N-butyl-N-ethyl-1-propylpyrazole-4-sulfonamide
CID 54922420
3-amino-N-cyclopentyl-1-propylpyrazole-4-sulfonamide
CID 54922795
3-amino-N,N-bis(cyanomethyl)-1-propylpyrazole-4-sulfonamide
CID 60809886
4-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]-1-propylpyrazol-3-amine
CID 102882361
5-amino-N-methyl-N-(1-methylpiperidin-4-yl)-1H-pyrazole-4-sulfonamide
CID 54922416
3-amino-N-ethyl-N-phenyl-1-propylpyrazole-4-sulfonamide
CID 60815014
3-amino-N-(3-methoxypropyl)-N-methyl-1-propylpyrazole-4-sulfonamide
CID 62985370

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-N-(1-methylpiperidin-4-yl)-1-propylpyrazole-4-sulfonamide?
The IUPAC name of 3-amino-N-methyl-N-(1-methylpiperidin-4-yl)-1-propylpyrazole-4-sulfonamide (CID 60814704) is 3-amino-N-methyl-N-(1-methylpiperidin-4-yl)-1-propylpyrazole-4-sulfonamide.
What is the SMILES notation for 3-amino-N-methyl-N-(1-methylpiperidin-4-yl)-1-propylpyrazole-4-sulfonamide?
The canonical SMILES for 3-amino-N-methyl-N-(1-methylpiperidin-4-yl)-1-propylpyrazole-4-sulfonamide is CCCn1cc(S(=O)(=O)N(C)C2CCN(C)CC2)c(N)n1.
What is the InChIKey of 3-amino-N-methyl-N-(1-methylpiperidin-4-yl)-1-propylpyrazole-4-sulfonamide?
The InChIKey is KBZCLEAHCGCSBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5O2S/c1-4-7-18-10-12(13(14)15-18)21(19,20)17(3)11-5-8-16(2)9-6-11/h10-11H,4-9H2,1-3H3,(H2,14,15).
What are the key properties of 3-amino-N-methyl-N-(1-methylpiperidin-4-yl)-1-propylpyrazole-4-sulfonamide?
3-amino-N-methyl-N-(1-methylpiperidin-4-yl)-1-propylpyrazole-4-sulfonamide has a molecular weight of 315.44 g/mol, XLogP of 0.59, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methyl-N-(1-methylpiperidin-4-yl)-1-propylpyrazole-4-sulfonamide is sourced from PubChem (CID 60814704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).