N-[3-(5-amino-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl)propyl]methanesulfonamide

C10H18N6O2S — CID 106338980

IUPACN-[3-(5-amino-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl)propyl]methanesulfonamide
SMILESCc1nn(C)c2c1nc(N)n2CCCNS(C)(=O)=O
InChIInChI=1S/C10H18N6O2S/c1-7-8-9(15(2)14-7)16(10(11)13-8)6-4-5-12-19(3,17)18/h12H,4-6H2,1-3H3,(H2,11,13)
InChIKeyYRPBJHXQGGCMKF-UHFFFAOYSA-N
MW286.36 g/mol
LogP-0.40
Rot. Bonds5

About N-[3-(5-amino-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl)propyl]methanesulfonamide

N-[3-(5-amino-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl)propyl]methanesulfonamide (PubChem CID 106338980) has the molecular formula C10H18N6O2S and a molecular weight of 286.36 g/mol. Its IUPAC name is N-[3-(5-amino-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl)propyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-(5-amino-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl)propyl]methanesulfonamide
PubChem CID106338980
Molecular FormulaC10H18N6O2S
Molecular Weight286.36 g/mol
Exact Mass286.12
IUPAC NameN-[3-(5-amino-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl)propyl]methanesulfonamide
SMILESCc1nn(C)c2c1nc(N)n2CCCNS(C)(=O)=O
InChIInChI=1S/C10H18N6O2S/c1-7-8-9(15(2)14-7)16(10(11)13-8)6-4-5-12-19(3,17)18/h12H,4-6H2,1-3H3,(H2,11,13)
InChIKeyYRPBJHXQGGCMKF-UHFFFAOYSA-N
XLogP-0.40
TPSA107.83 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1,3-dimethyl-6-(2-methylsulfanylethyl)imidazo[4,5-d]pyrazol-5-amine
CID 79296796
N-[3-(1,3-dimethyl-5-sulfanylidene-4H-imidazo[4,5-d]pyrazol-6-yl)propyl]methanesulfonamide
CID 106338233
2-(5-amino-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl)-N,N-dimethylacetamide
CID 79297215
1,3-dimethyl-6-[3-(2-methylpiperidin-1-yl)propyl]imidazo[4,5-d]pyrazol-5-amine
CID 79274716
6-(2,2-dimethylbutyl)-1,3-dimethylimidazo[4,5-d]pyrazol-5-amine
CID 103462891
1,3-dimethyl-6-(2,3,3-trimethylbutyl)imidazo[4,5-d]pyrazol-5-amine
CID 83144563
6-[2-[cyclopropyl(methyl)amino]ethyl]-1,3-dimethylimidazo[4,5-d]pyrazol-5-amine
CID 79297718
1,3-dimethyl-6-[2-(3-methylphenyl)ethyl]imidazo[4,5-d]pyrazol-5-amine
CID 79297502
4-amino-N-[2-(methanesulfonamido)ethyl]-1,3-dimethylpyrazole-5-carboxamide
CID 66120267
methyl 5-amino-1-[3-(methanesulfonamido)propyl]-2-methylimidazole-4-carboxylate
CID 106338365
1,3-dimethyl-6-(thiophen-3-ylmethyl)imidazo[4,5-d]pyrazol-5-amine
CID 79297435
1,3-dimethyl-6-(oxolan-3-ylmethyl)imidazo[4,5-d]pyrazol-5-amine
CID 79297295

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-amino-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl)propyl]methanesulfonamide?
The IUPAC name of N-[3-(5-amino-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl)propyl]methanesulfonamide (CID 106338980) is N-[3-(5-amino-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl)propyl]methanesulfonamide.
What is the SMILES notation for N-[3-(5-amino-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl)propyl]methanesulfonamide?
The canonical SMILES for N-[3-(5-amino-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl)propyl]methanesulfonamide is Cc1nn(C)c2c1nc(N)n2CCCNS(C)(=O)=O.
What is the InChIKey of N-[3-(5-amino-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl)propyl]methanesulfonamide?
The InChIKey is YRPBJHXQGGCMKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N6O2S/c1-7-8-9(15(2)14-7)16(10(11)13-8)6-4-5-12-19(3,17)18/h12H,4-6H2,1-3H3,(H2,11,13).
What are the key properties of N-[3-(5-amino-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl)propyl]methanesulfonamide?
N-[3-(5-amino-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl)propyl]methanesulfonamide has a molecular weight of 286.36 g/mol, XLogP of -0.40, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-amino-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl)propyl]methanesulfonamide is sourced from PubChem (CID 106338980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).