N-(4-cyano-1H-pyrazol-5-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide

C9H9N5O3S — CID 3523315

IUPACN-(4-cyano-1H-pyrazol-5-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)Nc1[nH]ncc1C#N
InChIInChI=1S/C9H9N5O3S/c1-5-8(6(2)17-13-5)18(15,16)14-9-7(3-10)4-11-12-9/h4H,1-2H3,(H2,11,12,14)
InChIKeyHMPYPYWJYMKYTD-UHFFFAOYSA-N
MW267.27 g/mol
LogP0.69
Rot. Bonds3

About N-(4-cyano-1H-pyrazol-5-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide

N-(4-cyano-1H-pyrazol-5-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide (PubChem CID 3523315) has the molecular formula C9H9N5O3S and a molecular weight of 267.27 g/mol. Its IUPAC name is N-(4-cyano-1H-pyrazol-5-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound NameN-(4-cyano-1H-pyrazol-5-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
PubChem CID3523315
Molecular FormulaC9H9N5O3S
Molecular Weight267.27 g/mol
Exact Mass267.04
IUPAC NameN-(4-cyano-1H-pyrazol-5-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)Nc1[nH]ncc1C#N
InChIInChI=1S/C9H9N5O3S/c1-5-8(6(2)17-13-5)18(15,16)14-9-7(3-10)4-11-12-9/h4H,1-2H3,(H2,11,12,14)
InChIKeyHMPYPYWJYMKYTD-UHFFFAOYSA-N
XLogP0.69
TPSA124.67 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.27
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-cyano-1H-pyrazol-5-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The IUPAC name of N-(4-cyano-1H-pyrazol-5-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide (CID 3523315) is N-(4-cyano-1H-pyrazol-5-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for N-(4-cyano-1H-pyrazol-5-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The canonical SMILES for N-(4-cyano-1H-pyrazol-5-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide is Cc1noc(C)c1S(=O)(=O)Nc1[nH]ncc1C#N.
What is the InChIKey of N-(4-cyano-1H-pyrazol-5-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The InChIKey is HMPYPYWJYMKYTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N5O3S/c1-5-8(6(2)17-13-5)18(15,16)14-9-7(3-10)4-11-12-9/h4H,1-2H3,(H2,11,12,14).
What are the key properties of N-(4-cyano-1H-pyrazol-5-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
N-(4-cyano-1H-pyrazol-5-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide has a molecular weight of 267.27 g/mol, XLogP of 0.69, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyano-1H-pyrazol-5-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 3523315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).