N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-N-ethylmethanesulfonamide

C14H19N3O3S — CID 645207

IUPACN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-N-ethylmethanesulfonamide
SMILESCCN(c1c(C)n(C)n(-c2ccccc2)c1=O)S(C)(=O)=O
InChIInChI=1S/C14H19N3O3S/c1-5-16(21(4,19)20)13-11(2)15(3)17(14(13)18)12-9-7-6-8-10-12/h6-10H,5H2,1-4H3
InChIKeyBVLQERVJVNXVJB-UHFFFAOYSA-N
MW309.39 g/mol
LogP1.27
Rot. Bonds4

About N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-N-ethylmethanesulfonamide

N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-N-ethylmethanesulfonamide (PubChem CID 645207) has the molecular formula C14H19N3O3S and a molecular weight of 309.39 g/mol. Its IUPAC name is N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-N-ethylmethanesulfonamide.

Molecular Properties

Compound NameN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-N-ethylmethanesulfonamide
PubChem CID645207
Molecular FormulaC14H19N3O3S
Molecular Weight309.39 g/mol
Exact Mass309.11
IUPAC NameN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-N-ethylmethanesulfonamide
SMILESCCN(c1c(C)n(C)n(-c2ccccc2)c1=O)S(C)(=O)=O
InChIInChI=1S/C14H19N3O3S/c1-5-16(21(4,19)20)13-11(2)15(3)17(14(13)18)12-9-7-6-8-10-12/h6-10H,5H2,1-4H3
InChIKeyBVLQERVJVNXVJB-UHFFFAOYSA-N
XLogP1.27
TPSA64.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-N-ethylmethanesulfonamide?
The IUPAC name of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-N-ethylmethanesulfonamide (CID 645207) is N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-N-ethylmethanesulfonamide.
What is the SMILES notation for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-N-ethylmethanesulfonamide?
The canonical SMILES for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-N-ethylmethanesulfonamide is CCN(c1c(C)n(C)n(-c2ccccc2)c1=O)S(C)(=O)=O.
What is the InChIKey of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-N-ethylmethanesulfonamide?
The InChIKey is BVLQERVJVNXVJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3S/c1-5-16(21(4,19)20)13-11(2)15(3)17(14(13)18)12-9-7-6-8-10-12/h6-10H,5H2,1-4H3.
What are the key properties of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-N-ethylmethanesulfonamide?
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-N-ethylmethanesulfonamide has a molecular weight of 309.39 g/mol, XLogP of 1.27, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-N-ethylmethanesulfonamide is sourced from PubChem (CID 645207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).