N-[(3,5-dimethyl-1-prop-2-enylpyrazol-4-yl)methyl]-N-methylnaphthalene-2-sulfonamide

C20H23N3O2S — CID 153326500

IUPACN-[(3,5-dimethyl-1-prop-2-enylpyrazol-4-yl)methyl]-N-methylnaphthalene-2-sulfonamide
SMILESC=CCn1nc(C)c(CN(C)S(=O)(=O)c2ccc3ccccc3c2)c1C
InChIInChI=1S/C20H23N3O2S/c1-5-12-23-16(3)20(15(2)21-23)14-22(4)26(24,25)19-11-10-17-8-6-7-9-18(17)13-19/h5-11,13H,1,12,14H2,2-4H3
InChIKeyOKJJPIQXOHDSRF-UHFFFAOYSA-N
MW369.49 g/mol
LogP3.66
Rot. Bonds6

About N-[(3,5-dimethyl-1-prop-2-enylpyrazol-4-yl)methyl]-N-methylnaphthalene-2-sulfonamide

N-[(3,5-dimethyl-1-prop-2-enylpyrazol-4-yl)methyl]-N-methylnaphthalene-2-sulfonamide (PubChem CID 153326500) has the molecular formula C20H23N3O2S and a molecular weight of 369.49 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1-prop-2-enylpyrazol-4-yl)methyl]-N-methylnaphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1-prop-2-enylpyrazol-4-yl)methyl]-N-methylnaphthalene-2-sulfonamide
PubChem CID153326500
Molecular FormulaC20H23N3O2S
Molecular Weight369.49 g/mol
Exact Mass369.15
IUPAC NameN-[(3,5-dimethyl-1-prop-2-enylpyrazol-4-yl)methyl]-N-methylnaphthalene-2-sulfonamide
SMILESC=CCn1nc(C)c(CN(C)S(=O)(=O)c2ccc3ccccc3c2)c1C
InChIInChI=1S/C20H23N3O2S/c1-5-12-23-16(3)20(15(2)21-23)14-22(4)26(24,25)19-11-10-17-8-6-7-9-18(17)13-19/h5-11,13H,1,12,14H2,2-4H3
InChIKeyOKJJPIQXOHDSRF-UHFFFAOYSA-N
XLogP3.66
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1-prop-2-enylpyrazol-4-yl)methyl]-N-methylnaphthalene-2-sulfonamide?
The IUPAC name of N-[(3,5-dimethyl-1-prop-2-enylpyrazol-4-yl)methyl]-N-methylnaphthalene-2-sulfonamide (CID 153326500) is N-[(3,5-dimethyl-1-prop-2-enylpyrazol-4-yl)methyl]-N-methylnaphthalene-2-sulfonamide.
What is the SMILES notation for N-[(3,5-dimethyl-1-prop-2-enylpyrazol-4-yl)methyl]-N-methylnaphthalene-2-sulfonamide?
The canonical SMILES for N-[(3,5-dimethyl-1-prop-2-enylpyrazol-4-yl)methyl]-N-methylnaphthalene-2-sulfonamide is C=CCn1nc(C)c(CN(C)S(=O)(=O)c2ccc3ccccc3c2)c1C.
What is the InChIKey of N-[(3,5-dimethyl-1-prop-2-enylpyrazol-4-yl)methyl]-N-methylnaphthalene-2-sulfonamide?
The InChIKey is OKJJPIQXOHDSRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2S/c1-5-12-23-16(3)20(15(2)21-23)14-22(4)26(24,25)19-11-10-17-8-6-7-9-18(17)13-19/h5-11,13H,1,12,14H2,2-4H3.
What are the key properties of N-[(3,5-dimethyl-1-prop-2-enylpyrazol-4-yl)methyl]-N-methylnaphthalene-2-sulfonamide?
N-[(3,5-dimethyl-1-prop-2-enylpyrazol-4-yl)methyl]-N-methylnaphthalene-2-sulfonamide has a molecular weight of 369.49 g/mol, XLogP of 3.66, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1-prop-2-enylpyrazol-4-yl)methyl]-N-methylnaphthalene-2-sulfonamide is sourced from PubChem (CID 153326500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).