1-cyclopentyl-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-3-methylpyrazole-4-sulfonamide

C15H21N5O4S — CID 42282807

IUPAC1-cyclopentyl-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-3-methylpyrazole-4-sulfonamide
SMILESCc1nn(C2CCCC2)cc1S(=O)(=O)Nc1cc(=O)n(C)c(=O)n1C
InChIInChI=1S/C15H21N5O4S/c1-10-12(9-20(16-10)11-6-4-5-7-11)25(23,24)17-13-8-14(21)19(3)15(22)18(13)2/h8-9,11,17H,4-7H2,1-3H3
InChIKeyMXOPBSOQVHKHIE-UHFFFAOYSA-N
MW367.43 g/mol
LogP0.50
Rot. Bonds4

About 1-cyclopentyl-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-3-methylpyrazole-4-sulfonamide

1-cyclopentyl-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-3-methylpyrazole-4-sulfonamide (PubChem CID 42282807) has the molecular formula C15H21N5O4S and a molecular weight of 367.43 g/mol. Its IUPAC name is 1-cyclopentyl-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-3-methylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-cyclopentyl-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-3-methylpyrazole-4-sulfonamide
PubChem CID42282807
Molecular FormulaC15H21N5O4S
Molecular Weight367.43 g/mol
Exact Mass367.13
IUPAC Name1-cyclopentyl-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-3-methylpyrazole-4-sulfonamide
SMILESCc1nn(C2CCCC2)cc1S(=O)(=O)Nc1cc(=O)n(C)c(=O)n1C
InChIInChI=1S/C15H21N5O4S/c1-10-12(9-20(16-10)11-6-4-5-7-11)25(23,24)17-13-8-14(21)19(3)15(22)18(13)2/h8-9,11,17H,4-7H2,1-3H3
InChIKeyMXOPBSOQVHKHIE-UHFFFAOYSA-N
XLogP0.50
TPSA107.99 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-3-methylpyrazole-4-sulfonamide?
The IUPAC name of 1-cyclopentyl-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-3-methylpyrazole-4-sulfonamide (CID 42282807) is 1-cyclopentyl-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-3-methylpyrazole-4-sulfonamide.
What is the SMILES notation for 1-cyclopentyl-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-3-methylpyrazole-4-sulfonamide?
The canonical SMILES for 1-cyclopentyl-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-3-methylpyrazole-4-sulfonamide is Cc1nn(C2CCCC2)cc1S(=O)(=O)Nc1cc(=O)n(C)c(=O)n1C.
What is the InChIKey of 1-cyclopentyl-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-3-methylpyrazole-4-sulfonamide?
The InChIKey is MXOPBSOQVHKHIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O4S/c1-10-12(9-20(16-10)11-6-4-5-7-11)25(23,24)17-13-8-14(21)19(3)15(22)18(13)2/h8-9,11,17H,4-7H2,1-3H3.
What are the key properties of 1-cyclopentyl-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-3-methylpyrazole-4-sulfonamide?
1-cyclopentyl-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-3-methylpyrazole-4-sulfonamide has a molecular weight of 367.43 g/mol, XLogP of 0.50, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-3-methylpyrazole-4-sulfonamide is sourced from PubChem (CID 42282807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).