carbon dioxide;N-(3-ethyl-1-methylpyrazol-5-yl)methanesulfonamide

C8H13N3O4S — CID 91181654

IUPACcarbon dioxide;N-(3-ethyl-1-methylpyrazol-5-yl)methanesulfonamide
SMILESCCc1cc(NS(C)(=O)=O)n(C)n1.O=C=O
InChIInChI=1S/C7H13N3O2S.CO2/c1-4-6-5-7(10(2)8-6)9-13(3,11)12;2-1-3/h5,9H,4H2,1-3H3;
InChIKeyHKGKIOBGWOWGPN-UHFFFAOYSA-N
MW247.28 g/mol
LogP-0.23
Rot. Bonds3

About carbon dioxide;N-(3-ethyl-1-methylpyrazol-5-yl)methanesulfonamide

carbon dioxide;N-(3-ethyl-1-methylpyrazol-5-yl)methanesulfonamide (PubChem CID 91181654) has the molecular formula C8H13N3O4S and a molecular weight of 247.28 g/mol. Its IUPAC name is carbon dioxide;N-(3-ethyl-1-methylpyrazol-5-yl)methanesulfonamide.

Molecular Properties

Compound Namecarbon dioxide;N-(3-ethyl-1-methylpyrazol-5-yl)methanesulfonamide
PubChem CID91181654
Molecular FormulaC8H13N3O4S
Molecular Weight247.28 g/mol
Exact Mass247.06
IUPAC Namecarbon dioxide;N-(3-ethyl-1-methylpyrazol-5-yl)methanesulfonamide
SMILESCCc1cc(NS(C)(=O)=O)n(C)n1.O=C=O
InChIInChI=1S/C7H13N3O2S.CO2/c1-4-6-5-7(10(2)8-6)9-13(3,11)12;2-1-3/h5,9H,4H2,1-3H3;
InChIKeyHKGKIOBGWOWGPN-UHFFFAOYSA-N
XLogP-0.23
TPSA98.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.28
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-2-amino-N-(3-ethyl-1-methylpyrazol-5-yl)propanamide;hydrochloride
CID 130685991
N-cyano-3-ethyl-1-methylpyrazole-5-carboxamide
CID 79193800
1-(3-ethyl-1-methylpyrazol-5-yl)-3-(1-hydroxybutan-2-yl)urea
CID 111422828
N-(3-bromo-1-methylpyrazol-4-yl)-3-ethyl-1-methylpyrazol-5-amine
CID 178129063
1-(3-ethyl-1-methylpyrazol-5-yl)-3-methylsulfonylpropan-2-amine
CID 115649859
3-ethyl-1-methylpyrazole-5-carboxylic acid
CID 820565
1-cyclopropyl-3-(3-ethyl-1-methylpyrazol-5-yl)-1-(2-hydroxyethyl)urea
CID 111422853
N-[2-(2,6-dichloro-4-propylphenyl)-5-methylpyrazol-3-yl]methanesulfonamide
CID 58960376
1-(3-ethyl-1-methylpyrazol-5-yl)-3-(2-hydroxy-4-methylpentyl)urea
CID 111453629
N-(cyanomethyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 66122287
N-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)propan-1-amine
CID 105078995
5-chloro-3-ethyl-1-(2-methylsulfonylethyl)pyrazole
CID 66015518

Frequently Asked Questions

What is the IUPAC name of carbon dioxide;N-(3-ethyl-1-methylpyrazol-5-yl)methanesulfonamide?
The IUPAC name of carbon dioxide;N-(3-ethyl-1-methylpyrazol-5-yl)methanesulfonamide (CID 91181654) is carbon dioxide;N-(3-ethyl-1-methylpyrazol-5-yl)methanesulfonamide.
What is the SMILES notation for carbon dioxide;N-(3-ethyl-1-methylpyrazol-5-yl)methanesulfonamide?
The canonical SMILES for carbon dioxide;N-(3-ethyl-1-methylpyrazol-5-yl)methanesulfonamide is CCc1cc(NS(C)(=O)=O)n(C)n1.O=C=O.
What is the InChIKey of carbon dioxide;N-(3-ethyl-1-methylpyrazol-5-yl)methanesulfonamide?
The InChIKey is HKGKIOBGWOWGPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O2S.CO2/c1-4-6-5-7(10(2)8-6)9-13(3,11)12;2-1-3/h5,9H,4H2,1-3H3;.
What are the key properties of carbon dioxide;N-(3-ethyl-1-methylpyrazol-5-yl)methanesulfonamide?
carbon dioxide;N-(3-ethyl-1-methylpyrazol-5-yl)methanesulfonamide has a molecular weight of 247.28 g/mol, XLogP of -0.23, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for carbon dioxide;N-(3-ethyl-1-methylpyrazol-5-yl)methanesulfonamide is sourced from PubChem (CID 91181654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).