2-[4-(4-cyclopropyl-1-methyl-6-oxo-3-pyridinyl)pyrazol-1-yl]-N-methylsulfonylbenzamide

C20H20N4O4S — CID 135355256

IUPAC2-[4-(4-cyclopropyl-1-methyl-6-oxo-3-pyridinyl)pyrazol-1-yl]-N-methylsulfonylbenzamide
SMILESCn1cc(-c2cnn(-c3ccccc3C(=O)NS(C)(=O)=O)c2)c(C2CC2)cc1=O
InChIInChI=1S/C20H20N4O4S/c1-23-12-17(16(9-19(23)25)13-7-8-13)14-10-21-24(11-14)18-6-4-3-5-15(18)20(26)22-29(2,27)28/h3-6,9-13H,7-8H2,1-2H3,(H,22,26)
InChIKeyXTPIIITUXMEMBX-UHFFFAOYSA-N
MW412.47 g/mol
LogP1.80
Rot. Bonds5

About 2-[4-(4-cyclopropyl-1-methyl-6-oxo-3-pyridinyl)pyrazol-1-yl]-N-methylsulfonylbenzamide

2-[4-(4-cyclopropyl-1-methyl-6-oxo-3-pyridinyl)pyrazol-1-yl]-N-methylsulfonylbenzamide (PubChem CID 135355256) has the molecular formula C20H20N4O4S and a molecular weight of 412.47 g/mol. Its IUPAC name is 2-[4-(4-cyclopropyl-1-methyl-6-oxo-3-pyridinyl)pyrazol-1-yl]-N-methylsulfonylbenzamide.

Molecular Properties

Compound Name2-[4-(4-cyclopropyl-1-methyl-6-oxo-3-pyridinyl)pyrazol-1-yl]-N-methylsulfonylbenzamide
PubChem CID135355256
Molecular FormulaC20H20N4O4S
Molecular Weight412.47 g/mol
Exact Mass412.12
IUPAC Name2-[4-(4-cyclopropyl-1-methyl-6-oxo-3-pyridinyl)pyrazol-1-yl]-N-methylsulfonylbenzamide
SMILESCn1cc(-c2cnn(-c3ccccc3C(=O)NS(C)(=O)=O)c2)c(C2CC2)cc1=O
InChIInChI=1S/C20H20N4O4S/c1-23-12-17(16(9-19(23)25)13-7-8-13)14-10-21-24(11-14)18-6-4-3-5-15(18)20(26)22-29(2,27)28/h3-6,9-13H,7-8H2,1-2H3,(H,22,26)
InChIKeyXTPIIITUXMEMBX-UHFFFAOYSA-N
XLogP1.80
TPSA103.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.47
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-cyclopropyl-1-methyl-6-oxo-3-pyridinyl)pyrazol-1-yl]-N-methylsulfonylbenzamide?
The IUPAC name of 2-[4-(4-cyclopropyl-1-methyl-6-oxo-3-pyridinyl)pyrazol-1-yl]-N-methylsulfonylbenzamide (CID 135355256) is 2-[4-(4-cyclopropyl-1-methyl-6-oxo-3-pyridinyl)pyrazol-1-yl]-N-methylsulfonylbenzamide.
What is the SMILES notation for 2-[4-(4-cyclopropyl-1-methyl-6-oxo-3-pyridinyl)pyrazol-1-yl]-N-methylsulfonylbenzamide?
The canonical SMILES for 2-[4-(4-cyclopropyl-1-methyl-6-oxo-3-pyridinyl)pyrazol-1-yl]-N-methylsulfonylbenzamide is Cn1cc(-c2cnn(-c3ccccc3C(=O)NS(C)(=O)=O)c2)c(C2CC2)cc1=O.
What is the InChIKey of 2-[4-(4-cyclopropyl-1-methyl-6-oxo-3-pyridinyl)pyrazol-1-yl]-N-methylsulfonylbenzamide?
The InChIKey is XTPIIITUXMEMBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O4S/c1-23-12-17(16(9-19(23)25)13-7-8-13)14-10-21-24(11-14)18-6-4-3-5-15(18)20(26)22-29(2,27)28/h3-6,9-13H,7-8H2,1-2H3,(H,22,26).
What are the key properties of 2-[4-(4-cyclopropyl-1-methyl-6-oxo-3-pyridinyl)pyrazol-1-yl]-N-methylsulfonylbenzamide?
2-[4-(4-cyclopropyl-1-methyl-6-oxo-3-pyridinyl)pyrazol-1-yl]-N-methylsulfonylbenzamide has a molecular weight of 412.47 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-cyclopropyl-1-methyl-6-oxo-3-pyridinyl)pyrazol-1-yl]-N-methylsulfonylbenzamide is sourced from PubChem (CID 135355256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).