3-amino-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-1-propylpyrazole-4-sulfonamide

C13H25N5O2S — CID 79304613

IUPAC3-amino-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-1-propylpyrazole-4-sulfonamide
SMILESCCCn1cc(S(=O)(=O)N(C)CC2CCCN2C)c(N)n1
InChIInChI=1S/C13H25N5O2S/c1-4-7-18-10-12(13(14)15-18)21(19,20)17(3)9-11-6-5-8-16(11)2/h10-11H,4-9H2,1-3H3,(H2,14,15)
InChIKeyVDIXPGSIPXVNKC-UHFFFAOYSA-N
MW315.44 g/mol
LogP0.59
Rot. Bonds6

About 3-amino-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-1-propylpyrazole-4-sulfonamide

3-amino-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-1-propylpyrazole-4-sulfonamide (PubChem CID 79304613) has the molecular formula C13H25N5O2S and a molecular weight of 315.44 g/mol. Its IUPAC name is 3-amino-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-1-propylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-1-propylpyrazole-4-sulfonamide
PubChem CID79304613
Molecular FormulaC13H25N5O2S
Molecular Weight315.44 g/mol
Exact Mass315.17
IUPAC Name3-amino-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-1-propylpyrazole-4-sulfonamide
SMILESCCCn1cc(S(=O)(=O)N(C)CC2CCCN2C)c(N)n1
InChIInChI=1S/C13H25N5O2S/c1-4-7-18-10-12(13(14)15-18)21(19,20)17(3)9-11-6-5-8-16(11)2/h10-11H,4-9H2,1-3H3,(H2,14,15)
InChIKeyVDIXPGSIPXVNKC-UHFFFAOYSA-N
XLogP0.59
TPSA84.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
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

Analyze 3-amino-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-1-propylpyrazole-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-N-[(1-methylpyrrolidin-2-yl)methyl]-1-propylpyrazole-4-sulfonamide
CID 106022301
3-amino-N-methyl-N-(1-methylpiperidin-4-yl)-1-propylpyrazole-4-sulfonamide
CID 60814704
2-amino-3-fluoro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzenesulfonamide
CID 79304233
2-amino-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidine-5-sulfonamide
CID 79312411
2-[(3-amino-1-propylpyrazol-4-yl)sulfonyl-methylamino]-N,N-dimethylacetamide
CID 60808306
3-amino-N-(3-methoxypropyl)-N-methyl-1-propylpyrazole-4-sulfonamide
CID 62985370
3-amino-4-chloro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzenesulfonamide
CID 79303402
2-hydrazinyl-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyridine-3-sulfonamide
CID 79319040
3-amino-N-cyclopentyl-1-propylpyrazole-4-sulfonamide
CID 54922795
5-(aminomethyl)-N,2-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]thiophene-3-sulfonamide
CID 79317908
3-amino-5-fluoro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzenesulfonamide
CID 79303400
2-amino-N,6-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzenesulfonamide
CID 79303401

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-1-propylpyrazole-4-sulfonamide?
The IUPAC name of 3-amino-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-1-propylpyrazole-4-sulfonamide (CID 79304613) is 3-amino-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-1-propylpyrazole-4-sulfonamide.
What is the SMILES notation for 3-amino-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-1-propylpyrazole-4-sulfonamide?
The canonical SMILES for 3-amino-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-1-propylpyrazole-4-sulfonamide is CCCn1cc(S(=O)(=O)N(C)CC2CCCN2C)c(N)n1.
What is the InChIKey of 3-amino-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-1-propylpyrazole-4-sulfonamide?
The InChIKey is VDIXPGSIPXVNKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5O2S/c1-4-7-18-10-12(13(14)15-18)21(19,20)17(3)9-11-6-5-8-16(11)2/h10-11H,4-9H2,1-3H3,(H2,14,15).
What are the key properties of 3-amino-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-1-propylpyrazole-4-sulfonamide?
3-amino-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-1-propylpyrazole-4-sulfonamide has a molecular weight of 315.44 g/mol, XLogP of 0.59, 6 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-methylpyrrolidin-2-yl)methyl]-1-propylpyrazole-4-sulfonamide is sourced from PubChem (CID 79304613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).