N-[2-[[(3-bromopyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]cyclopentyl]methanesulfonamide

C13H18BrN5O2S — CID 167982429

IUPACN-[2-[[(3-bromopyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]cyclopentyl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCCC1CNc1nccn2ncc(Br)c12
InChIInChI=1S/C13H18BrN5O2S/c1-22(20,21)18-11-4-2-3-9(11)7-16-13-12-10(14)8-17-19(12)6-5-15-13/h5-6,8-9,11,18H,2-4,7H2,1H3,(H,15,16)
InChIKeyJPPTYTYBYBSMIC-UHFFFAOYSA-N
MW388.29 g/mol
LogP1.62
Rot. Bonds5

About N-[2-[[(3-bromopyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]cyclopentyl]methanesulfonamide

N-[2-[[(3-bromopyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]cyclopentyl]methanesulfonamide (PubChem CID 167982429) has the molecular formula C13H18BrN5O2S and a molecular weight of 388.29 g/mol. Its IUPAC name is N-[2-[[(3-bromopyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]cyclopentyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[[(3-bromopyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]cyclopentyl]methanesulfonamide
PubChem CID167982429
Molecular FormulaC13H18BrN5O2S
Molecular Weight388.29 g/mol
Exact Mass387.04
IUPAC NameN-[2-[[(3-bromopyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]cyclopentyl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCCC1CNc1nccn2ncc(Br)c12
InChIInChI=1S/C13H18BrN5O2S/c1-22(20,21)18-11-4-2-3-9(11)7-16-13-12-10(14)8-17-19(12)6-5-15-13/h5-6,8-9,11,18H,2-4,7H2,1H3,(H,15,16)
InChIKeyJPPTYTYBYBSMIC-UHFFFAOYSA-N
XLogP1.62
TPSA88.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.29
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[2-[[(3-bromopyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]cyclopentyl]methanesulfonamide with MolForge

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Related Compounds

N-(8-bicyclo[5.1.0]octanylmethyl)-3-bromopyrazolo[1,5-a]pyrazin-4-amine
CID 167790545
N-[2-[[(5-pyrrol-1-ylpyrazin-2-yl)amino]methyl]cyclohexyl]methanesulfonamide
CID 167841546
N-[[1-(aminomethyl)cyclobutyl]methyl]-3-bromopyrazolo[1,5-a]pyrazin-4-amine
CID 167890633
N-[2-[[(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]cyclopentyl]methanesulfonamide
CID 133491144
N-[2-[[(1-methyl-4,5-dihydroimidazol-2-yl)amino]methyl]cyclohexyl]methanesulfonamide
CID 120973247
2-[(3-bromopyrazolo[1,5-a]pyrazin-4-yl)amino]-2-(3-methoxycyclohexyl)ethanol
CID 167917745
2-[(pyrazolo[1,5-a]pyrazin-4-ylamino)methyl]cyclohexan-1-ol
CID 113446377
N-[2-(hydroxymethyl)cyclopentyl]methanesulfonamide
CID 103697796
N-(2-ethylcyclohexyl)-2-hydrazinylpyridine-3-sulfonamide
CID 61468220
2-amino-N-(2-ethylcyclohexyl)pyrimidine-5-sulfonamide
CID 62153641
N-[[(1R,2S)-2-(methanesulfonamido)cyclopentyl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
CID 124572390
2-indazol-1-yl-N-[[(1R,2R)-2-(methanesulfonamido)cyclopentyl]methyl]acetamide
CID 96539483

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(3-bromopyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]cyclopentyl]methanesulfonamide?
The IUPAC name of N-[2-[[(3-bromopyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]cyclopentyl]methanesulfonamide (CID 167982429) is N-[2-[[(3-bromopyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]cyclopentyl]methanesulfonamide.
What is the SMILES notation for N-[2-[[(3-bromopyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]cyclopentyl]methanesulfonamide?
The canonical SMILES for N-[2-[[(3-bromopyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]cyclopentyl]methanesulfonamide is CS(=O)(=O)NC1CCCC1CNc1nccn2ncc(Br)c12.
What is the InChIKey of N-[2-[[(3-bromopyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]cyclopentyl]methanesulfonamide?
The InChIKey is JPPTYTYBYBSMIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN5O2S/c1-22(20,21)18-11-4-2-3-9(11)7-16-13-12-10(14)8-17-19(12)6-5-15-13/h5-6,8-9,11,18H,2-4,7H2,1H3,(H,15,16).
What are the key properties of N-[2-[[(3-bromopyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]cyclopentyl]methanesulfonamide?
N-[2-[[(3-bromopyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]cyclopentyl]methanesulfonamide has a molecular weight of 388.29 g/mol, XLogP of 1.62, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(3-bromopyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]cyclopentyl]methanesulfonamide is sourced from PubChem (CID 167982429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).