1-phenyl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylcyclobutane-1-carboxamide

C17H21N3O3S — CID 51086084

IUPAC1-phenyl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylcyclobutane-1-carboxamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)NC(=O)C1(c2ccccc2)CCC1
InChIInChI=1S/C17H21N3O3S/c1-12-15(13(2)20(3)18-12)24(22,23)19-16(21)17(10-7-11-17)14-8-5-4-6-9-14/h4-6,8-9H,7,10-11H2,1-3H3,(H,19,21)
InChIKeyUHJPAMWWHIWVKL-UHFFFAOYSA-N
MW347.44 g/mol
LogP1.96
Rot. Bonds4

About 1-phenyl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylcyclobutane-1-carboxamide

1-phenyl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylcyclobutane-1-carboxamide (PubChem CID 51086084) has the molecular formula C17H21N3O3S and a molecular weight of 347.44 g/mol. Its IUPAC name is 1-phenyl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylcyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-phenyl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylcyclobutane-1-carboxamide
PubChem CID51086084
Molecular FormulaC17H21N3O3S
Molecular Weight347.44 g/mol
Exact Mass347.13
IUPAC Name1-phenyl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylcyclobutane-1-carboxamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)NC(=O)C1(c2ccccc2)CCC1
InChIInChI=1S/C17H21N3O3S/c1-12-15(13(2)20(3)18-12)24(22,23)19-16(21)17(10-7-11-17)14-8-5-4-6-9-14/h4-6,8-9H,7,10-11H2,1-3H3,(H,19,21)
InChIKeyUHJPAMWWHIWVKL-UHFFFAOYSA-N
XLogP1.96
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylcyclobutane-1-carboxamide?
The IUPAC name of 1-phenyl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylcyclobutane-1-carboxamide (CID 51086084) is 1-phenyl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylcyclobutane-1-carboxamide.
What is the SMILES notation for 1-phenyl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylcyclobutane-1-carboxamide?
The canonical SMILES for 1-phenyl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylcyclobutane-1-carboxamide is Cc1nn(C)c(C)c1S(=O)(=O)NC(=O)C1(c2ccccc2)CCC1.
What is the InChIKey of 1-phenyl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylcyclobutane-1-carboxamide?
The InChIKey is UHJPAMWWHIWVKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3S/c1-12-15(13(2)20(3)18-12)24(22,23)19-16(21)17(10-7-11-17)14-8-5-4-6-9-14/h4-6,8-9H,7,10-11H2,1-3H3,(H,19,21).
What are the key properties of 1-phenyl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylcyclobutane-1-carboxamide?
1-phenyl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylcyclobutane-1-carboxamide has a molecular weight of 347.44 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylcyclobutane-1-carboxamide is sourced from PubChem (CID 51086084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).