1-cyclobutyl-N-[(2,6-dimethylphenyl)methylsulfonyl]pyrazole-4-carboxamide

C17H21N3O3S — CID 167784209

IUPAC1-cyclobutyl-N-[(2,6-dimethylphenyl)methylsulfonyl]pyrazole-4-carboxamide
SMILESCc1cccc(C)c1CS(=O)(=O)NC(=O)c1cnn(C2CCC2)c1
InChIInChI=1S/C17H21N3O3S/c1-12-5-3-6-13(2)16(12)11-24(22,23)19-17(21)14-9-18-20(10-14)15-7-4-8-15/h3,5-6,9-10,15H,4,7-8,11H2,1-2H3,(H,19,21)
InChIKeyAYMGARWUIXMPSX-UHFFFAOYSA-N
MW347.44 g/mol
LogP2.48
Rot. Bonds5

About 1-cyclobutyl-N-[(2,6-dimethylphenyl)methylsulfonyl]pyrazole-4-carboxamide

1-cyclobutyl-N-[(2,6-dimethylphenyl)methylsulfonyl]pyrazole-4-carboxamide (PubChem CID 167784209) has the molecular formula C17H21N3O3S and a molecular weight of 347.44 g/mol. Its IUPAC name is 1-cyclobutyl-N-[(2,6-dimethylphenyl)methylsulfonyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-cyclobutyl-N-[(2,6-dimethylphenyl)methylsulfonyl]pyrazole-4-carboxamide
PubChem CID167784209
Molecular FormulaC17H21N3O3S
Molecular Weight347.44 g/mol
Exact Mass347.13
IUPAC Name1-cyclobutyl-N-[(2,6-dimethylphenyl)methylsulfonyl]pyrazole-4-carboxamide
SMILESCc1cccc(C)c1CS(=O)(=O)NC(=O)c1cnn(C2CCC2)c1
InChIInChI=1S/C17H21N3O3S/c1-12-5-3-6-13(2)16(12)11-24(22,23)19-17(21)14-9-18-20(10-14)15-7-4-8-15/h3,5-6,9-10,15H,4,7-8,11H2,1-2H3,(H,19,21)
InChIKeyAYMGARWUIXMPSX-UHFFFAOYSA-N
XLogP2.48
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-N-[(2,6-dimethylphenyl)methylsulfonyl]pyrazole-4-carboxamide?
The IUPAC name of 1-cyclobutyl-N-[(2,6-dimethylphenyl)methylsulfonyl]pyrazole-4-carboxamide (CID 167784209) is 1-cyclobutyl-N-[(2,6-dimethylphenyl)methylsulfonyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-cyclobutyl-N-[(2,6-dimethylphenyl)methylsulfonyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-cyclobutyl-N-[(2,6-dimethylphenyl)methylsulfonyl]pyrazole-4-carboxamide is Cc1cccc(C)c1CS(=O)(=O)NC(=O)c1cnn(C2CCC2)c1.
What is the InChIKey of 1-cyclobutyl-N-[(2,6-dimethylphenyl)methylsulfonyl]pyrazole-4-carboxamide?
The InChIKey is AYMGARWUIXMPSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3S/c1-12-5-3-6-13(2)16(12)11-24(22,23)19-17(21)14-9-18-20(10-14)15-7-4-8-15/h3,5-6,9-10,15H,4,7-8,11H2,1-2H3,(H,19,21).
What are the key properties of 1-cyclobutyl-N-[(2,6-dimethylphenyl)methylsulfonyl]pyrazole-4-carboxamide?
1-cyclobutyl-N-[(2,6-dimethylphenyl)methylsulfonyl]pyrazole-4-carboxamide has a molecular weight of 347.44 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-N-[(2,6-dimethylphenyl)methylsulfonyl]pyrazole-4-carboxamide is sourced from PubChem (CID 167784209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).