N-[2-(5-cyclopropyl-3-pyrazin-2-ylpyrazol-1-yl)ethyl]methanesulfonamide

C13H17N5O2S — CID 119102759

IUPACN-[2-(5-cyclopropyl-3-pyrazin-2-ylpyrazol-1-yl)ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCn1nc(-c2cnccn2)cc1C1CC1
InChIInChI=1S/C13H17N5O2S/c1-21(19,20)16-6-7-18-13(10-2-3-10)8-11(17-18)12-9-14-4-5-15-12/h4-5,8-10,16H,2-3,6-7H2,1H3
InChIKeyYYPWLUQREAQAGG-UHFFFAOYSA-N
MW307.38 g/mol
LogP0.77
Rot. Bonds6

About N-[2-(5-cyclopropyl-3-pyrazin-2-ylpyrazol-1-yl)ethyl]methanesulfonamide

N-[2-(5-cyclopropyl-3-pyrazin-2-ylpyrazol-1-yl)ethyl]methanesulfonamide (PubChem CID 119102759) has the molecular formula C13H17N5O2S and a molecular weight of 307.38 g/mol. Its IUPAC name is N-[2-(5-cyclopropyl-3-pyrazin-2-ylpyrazol-1-yl)ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-(5-cyclopropyl-3-pyrazin-2-ylpyrazol-1-yl)ethyl]methanesulfonamide
PubChem CID119102759
Molecular FormulaC13H17N5O2S
Molecular Weight307.38 g/mol
Exact Mass307.11
IUPAC NameN-[2-(5-cyclopropyl-3-pyrazin-2-ylpyrazol-1-yl)ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCn1nc(-c2cnccn2)cc1C1CC1
InChIInChI=1S/C13H17N5O2S/c1-21(19,20)16-6-7-18-13(10-2-3-10)8-11(17-18)12-9-14-4-5-15-12/h4-5,8-10,16H,2-3,6-7H2,1H3
InChIKeyYYPWLUQREAQAGG-UHFFFAOYSA-N
XLogP0.77
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-ethyl-N-(pyridin-3-yl)-1H-pyrazole-4-sulfonamide
CID 6466340
1-ethyl-5-methyl-N-(pyridin-3-yl)-1H-pyrazole-4-sulfonamide
CID 6470411
1-methyl-3-(pyridin-2-yl)-1H-pyrazol-4-amine
CID 46204451
N-(2-(3-(pyridin-4-yl)-1H-pyrazol-1-yl)ethyl)cyclopropanesulfonamide
CID 71807860
N-{2-[3-(pyridin-2-yl)-1H-pyrazol-1-yl]ethyl}cyclopropanesulfonamide
CID 71807961
N-(2-(3-(pyridin-2-yl)-1H-pyrazol-1-yl)ethyl)cyclohexanesulfonamide
CID 71807963
5-ethyl-1-(2-methylpropyl)-N-(pyridin-3-ylmethyl)pyrazol-4-amine
CID 75393147
5-ethyl-1-(2-methylpropyl)-N-(pyridin-4-ylmethyl)pyrazol-4-amine
CID 84596605
N-[(2S,3R)-1-[(1-methylpyrazol-4-yl)methyl]-2-(pyridin-3-ylmethyl)pyrrolidin-3-yl]methanesulfonamide
CID 97392092
2-(3,5-dimethyl-1H-pyrazol-4-yl)-3-[(1-methylsulfonylpyrrolidin-3-yl)methyl]pyrazine
CID 110102220
2-(1-Methylsulfonylpiperidin-4-yl)-6-(1,3,5-trimethylpyrazol-4-yl)pyrazine
CID 110102240
2-(1-Methylsulfonylpiperidin-3-yl)-5-(1,3,5-trimethylpyrazol-4-yl)pyrazine
CID 110102336

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-cyclopropyl-3-pyrazin-2-ylpyrazol-1-yl)ethyl]methanesulfonamide?
The IUPAC name of N-[2-(5-cyclopropyl-3-pyrazin-2-ylpyrazol-1-yl)ethyl]methanesulfonamide (CID 119102759) is N-[2-(5-cyclopropyl-3-pyrazin-2-ylpyrazol-1-yl)ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-(5-cyclopropyl-3-pyrazin-2-ylpyrazol-1-yl)ethyl]methanesulfonamide?
The canonical SMILES for N-[2-(5-cyclopropyl-3-pyrazin-2-ylpyrazol-1-yl)ethyl]methanesulfonamide is CS(=O)(=O)NCCn1nc(-c2cnccn2)cc1C1CC1.
What is the InChIKey of N-[2-(5-cyclopropyl-3-pyrazin-2-ylpyrazol-1-yl)ethyl]methanesulfonamide?
The InChIKey is YYPWLUQREAQAGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2S/c1-21(19,20)16-6-7-18-13(10-2-3-10)8-11(17-18)12-9-14-4-5-15-12/h4-5,8-10,16H,2-3,6-7H2,1H3.
What are the key properties of N-[2-(5-cyclopropyl-3-pyrazin-2-ylpyrazol-1-yl)ethyl]methanesulfonamide?
N-[2-(5-cyclopropyl-3-pyrazin-2-ylpyrazol-1-yl)ethyl]methanesulfonamide has a molecular weight of 307.38 g/mol, XLogP of 0.77, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-cyclopropyl-3-pyrazin-2-ylpyrazol-1-yl)ethyl]methanesulfonamide is sourced from PubChem (CID 119102759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).