5-amino-N-(5-methoxy-1-methylpyrazol-3-yl)-1H-pyrazole-4-sulfonamide

C8H12N6O3S — CID 114255316

IUPAC5-amino-N-(5-methoxy-1-methylpyrazol-3-yl)-1H-pyrazole-4-sulfonamide
SMILESCOc1cc(NS(=O)(=O)c2cn[nH]c2N)nn1C
InChIInChI=1S/C8H12N6O3S/c1-14-7(17-2)3-6(12-14)13-18(15,16)5-4-10-11-8(5)9/h3-4H,1-2H3,(H,12,13)(H3,9,10,11)
InChIKeyGQZXFMLQHFDRSM-UHFFFAOYSA-N
MW272.29 g/mol
LogP-0.47
Rot. Bonds4

About 5-amino-N-(5-methoxy-1-methylpyrazol-3-yl)-1H-pyrazole-4-sulfonamide

5-amino-N-(5-methoxy-1-methylpyrazol-3-yl)-1H-pyrazole-4-sulfonamide (PubChem CID 114255316) has the molecular formula C8H12N6O3S and a molecular weight of 272.29 g/mol. Its IUPAC name is 5-amino-N-(5-methoxy-1-methylpyrazol-3-yl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name5-amino-N-(5-methoxy-1-methylpyrazol-3-yl)-1H-pyrazole-4-sulfonamide
PubChem CID114255316
Molecular FormulaC8H12N6O3S
Molecular Weight272.29 g/mol
Exact Mass272.07
IUPAC Name5-amino-N-(5-methoxy-1-methylpyrazol-3-yl)-1H-pyrazole-4-sulfonamide
SMILESCOc1cc(NS(=O)(=O)c2cn[nH]c2N)nn1C
InChIInChI=1S/C8H12N6O3S/c1-14-7(17-2)3-6(12-14)13-18(15,16)5-4-10-11-8(5)9/h3-4H,1-2H3,(H,12,13)(H3,9,10,11)
InChIKeyGQZXFMLQHFDRSM-UHFFFAOYSA-N
XLogP-0.47
TPSA127.92 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.29
LogP ≤ 5-0.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(5-methoxy-1-methylpyrazol-3-yl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of 5-amino-N-(5-methoxy-1-methylpyrazol-3-yl)-1H-pyrazole-4-sulfonamide (CID 114255316) is 5-amino-N-(5-methoxy-1-methylpyrazol-3-yl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 5-amino-N-(5-methoxy-1-methylpyrazol-3-yl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 5-amino-N-(5-methoxy-1-methylpyrazol-3-yl)-1H-pyrazole-4-sulfonamide is COc1cc(NS(=O)(=O)c2cn[nH]c2N)nn1C.
What is the InChIKey of 5-amino-N-(5-methoxy-1-methylpyrazol-3-yl)-1H-pyrazole-4-sulfonamide?
The InChIKey is GQZXFMLQHFDRSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N6O3S/c1-14-7(17-2)3-6(12-14)13-18(15,16)5-4-10-11-8(5)9/h3-4H,1-2H3,(H,12,13)(H3,9,10,11).
What are the key properties of 5-amino-N-(5-methoxy-1-methylpyrazol-3-yl)-1H-pyrazole-4-sulfonamide?
5-amino-N-(5-methoxy-1-methylpyrazol-3-yl)-1H-pyrazole-4-sulfonamide has a molecular weight of 272.29 g/mol, XLogP of -0.47, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(5-methoxy-1-methylpyrazol-3-yl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 114255316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).