1,5-dimethyl-N-[4-(1,2-oxazol-5-yl)phenyl]pyrazole-4-sulfonamide

C14H14N4O3S — CID 5295518

IUPAC1,5-dimethyl-N-[4-(1,2-oxazol-5-yl)phenyl]pyrazole-4-sulfonamide
SMILESCc1c(S(=O)(=O)Nc2ccc(-c3ccno3)cc2)cnn1C
InChIInChI=1S/C14H14N4O3S/c1-10-14(9-15-18(10)2)22(19,20)17-12-5-3-11(4-6-12)13-7-8-16-21-13/h3-9,17H,1-2H3
InChIKeyCNSWUESJODSGNR-UHFFFAOYSA-N
MW318.36 g/mol
LogP2.18
Rot. Bonds4

About 1,5-dimethyl-N-[4-(1,2-oxazol-5-yl)phenyl]pyrazole-4-sulfonamide

1,5-dimethyl-N-[4-(1,2-oxazol-5-yl)phenyl]pyrazole-4-sulfonamide (PubChem CID 5295518) has the molecular formula C14H14N4O3S and a molecular weight of 318.36 g/mol. Its IUPAC name is 1,5-dimethyl-N-[4-(1,2-oxazol-5-yl)phenyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1,5-dimethyl-N-[4-(1,2-oxazol-5-yl)phenyl]pyrazole-4-sulfonamide
PubChem CID5295518
Molecular FormulaC14H14N4O3S
Molecular Weight318.36 g/mol
Exact Mass318.08
IUPAC Name1,5-dimethyl-N-[4-(1,2-oxazol-5-yl)phenyl]pyrazole-4-sulfonamide
SMILESCc1c(S(=O)(=O)Nc2ccc(-c3ccno3)cc2)cnn1C
InChIInChI=1S/C14H14N4O3S/c1-10-14(9-15-18(10)2)22(19,20)17-12-5-3-11(4-6-12)13-7-8-16-21-13/h3-9,17H,1-2H3
InChIKeyCNSWUESJODSGNR-UHFFFAOYSA-N
XLogP2.18
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.36
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-N-[4-(1,2-oxazol-5-yl)phenyl]pyrazole-4-sulfonamide?
The IUPAC name of 1,5-dimethyl-N-[4-(1,2-oxazol-5-yl)phenyl]pyrazole-4-sulfonamide (CID 5295518) is 1,5-dimethyl-N-[4-(1,2-oxazol-5-yl)phenyl]pyrazole-4-sulfonamide.
What is the SMILES notation for 1,5-dimethyl-N-[4-(1,2-oxazol-5-yl)phenyl]pyrazole-4-sulfonamide?
The canonical SMILES for 1,5-dimethyl-N-[4-(1,2-oxazol-5-yl)phenyl]pyrazole-4-sulfonamide is Cc1c(S(=O)(=O)Nc2ccc(-c3ccno3)cc2)cnn1C.
What is the InChIKey of 1,5-dimethyl-N-[4-(1,2-oxazol-5-yl)phenyl]pyrazole-4-sulfonamide?
The InChIKey is CNSWUESJODSGNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O3S/c1-10-14(9-15-18(10)2)22(19,20)17-12-5-3-11(4-6-12)13-7-8-16-21-13/h3-9,17H,1-2H3.
What are the key properties of 1,5-dimethyl-N-[4-(1,2-oxazol-5-yl)phenyl]pyrazole-4-sulfonamide?
1,5-dimethyl-N-[4-(1,2-oxazol-5-yl)phenyl]pyrazole-4-sulfonamide has a molecular weight of 318.36 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-N-[4-(1,2-oxazol-5-yl)phenyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 5295518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).