5-(2-methoxyethylsulfamoylamino)-1H-pyrazole-4-carbonitrile

C7H11N5O3S — CID 114815166

IUPAC5-(2-methoxyethylsulfamoylamino)-1H-pyrazole-4-carbonitrile
SMILESCOCCNS(=O)(=O)Nc1[nH]ncc1C#N
InChIInChI=1S/C7H11N5O3S/c1-15-3-2-10-16(13,14)12-7-6(4-8)5-9-11-7/h5,10H,2-3H2,1H3,(H2,9,11,12)
InChIKeyFUGKFAMHVKAQAB-UHFFFAOYSA-N
MW245.26 g/mol
LogP-0.83
Rot. Bonds6

About 5-(2-methoxyethylsulfamoylamino)-1H-pyrazole-4-carbonitrile

5-(2-methoxyethylsulfamoylamino)-1H-pyrazole-4-carbonitrile (PubChem CID 114815166) has the molecular formula C7H11N5O3S and a molecular weight of 245.26 g/mol. Its IUPAC name is 5-(2-methoxyethylsulfamoylamino)-1H-pyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-(2-methoxyethylsulfamoylamino)-1H-pyrazole-4-carbonitrile
PubChem CID114815166
Molecular FormulaC7H11N5O3S
Molecular Weight245.26 g/mol
Exact Mass245.06
IUPAC Name5-(2-methoxyethylsulfamoylamino)-1H-pyrazole-4-carbonitrile
SMILESCOCCNS(=O)(=O)Nc1[nH]ncc1C#N
InChIInChI=1S/C7H11N5O3S/c1-15-3-2-10-16(13,14)12-7-6(4-8)5-9-11-7/h5,10H,2-3H2,1H3,(H2,9,11,12)
InChIKeyFUGKFAMHVKAQAB-UHFFFAOYSA-N
XLogP-0.83
TPSA119.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.26
LogP ≤ 5-0.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxyethylsulfamoylamino)-1H-pyrazole-4-carbonitrile?
The IUPAC name of 5-(2-methoxyethylsulfamoylamino)-1H-pyrazole-4-carbonitrile (CID 114815166) is 5-(2-methoxyethylsulfamoylamino)-1H-pyrazole-4-carbonitrile.
What is the SMILES notation for 5-(2-methoxyethylsulfamoylamino)-1H-pyrazole-4-carbonitrile?
The canonical SMILES for 5-(2-methoxyethylsulfamoylamino)-1H-pyrazole-4-carbonitrile is COCCNS(=O)(=O)Nc1[nH]ncc1C#N.
What is the InChIKey of 5-(2-methoxyethylsulfamoylamino)-1H-pyrazole-4-carbonitrile?
The InChIKey is FUGKFAMHVKAQAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N5O3S/c1-15-3-2-10-16(13,14)12-7-6(4-8)5-9-11-7/h5,10H,2-3H2,1H3,(H2,9,11,12).
What are the key properties of 5-(2-methoxyethylsulfamoylamino)-1H-pyrazole-4-carbonitrile?
5-(2-methoxyethylsulfamoylamino)-1H-pyrazole-4-carbonitrile has a molecular weight of 245.26 g/mol, XLogP of -0.83, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxyethylsulfamoylamino)-1H-pyrazole-4-carbonitrile is sourced from PubChem (CID 114815166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).