N-[6-(2-fluoro-4-methylanilino)-7-prop-1-en-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]cyclopropanesulfonamide

C19H20FN5O2S — CID 123152958

IUPACN-[6-(2-fluoro-4-methylanilino)-7-prop-1-en-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]cyclopropanesulfonamide
SMILESC=C(C)c1c(Nc2ccc(C)cc2F)c(NS(=O)(=O)C2CC2)nc2ccnn12
InChIInChI=1S/C19H20FN5O2S/c1-11(2)18-17(22-15-7-4-12(3)10-14(15)20)19(23-16-8-9-21-25(16)18)24-28(26,27)13-5-6-13/h4,7-10,13,22H,1,5-6H2,2-3H3,(H,23,24)
InChIKeyOQXSNAFNUKMGSA-UHFFFAOYSA-N
MW401.47 g/mol
LogP3.86
Rot. Bonds6

About N-[6-(2-fluoro-4-methylanilino)-7-prop-1-en-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]cyclopropanesulfonamide

N-[6-(2-fluoro-4-methylanilino)-7-prop-1-en-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]cyclopropanesulfonamide (PubChem CID 123152958) has the molecular formula C19H20FN5O2S and a molecular weight of 401.47 g/mol. Its IUPAC name is N-[6-(2-fluoro-4-methylanilino)-7-prop-1-en-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[6-(2-fluoro-4-methylanilino)-7-prop-1-en-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]cyclopropanesulfonamide
PubChem CID123152958
Molecular FormulaC19H20FN5O2S
Molecular Weight401.47 g/mol
Exact Mass401.13
IUPAC NameN-[6-(2-fluoro-4-methylanilino)-7-prop-1-en-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]cyclopropanesulfonamide
SMILESC=C(C)c1c(Nc2ccc(C)cc2F)c(NS(=O)(=O)C2CC2)nc2ccnn12
InChIInChI=1S/C19H20FN5O2S/c1-11(2)18-17(22-15-7-4-12(3)10-14(15)20)19(23-16-8-9-21-25(16)18)24-28(26,27)13-5-6-13/h4,7-10,13,22H,1,5-6H2,2-3H3,(H,23,24)
InChIKeyOQXSNAFNUKMGSA-UHFFFAOYSA-N
XLogP3.86
TPSA88.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[6-(2-fluoro-4-methylanilino)-7-prop-1-en-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]cyclopropanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[5-chloro-2-(2-fluoro-4-methylanilino)-1-methyl-6-oxo-3-pyridinyl]cyclopropanesulfonamide
CID 91455769
N-(2-fluoro-4-methylphenyl)pyrrolidine-3-sulfonamide
CID 65420035
N-[2-(2,4-dimethylanilino)-3,4-difluorophenyl]cyclohexanesulfonamide
CID 143758056
N-(2-fluoro-4-methylphenyl)piperidine-3-sulfonamide
CID 43114273
N-[8-chloro-7-(2-fluoro-4-iodoanilino)-3-methylimidazo[1,5-a]pyridin-6-yl]cyclopropanesulfonamide
CID 66999055
methyl 5-methyl-2-(oxan-4-ylsulfonylamino)benzoate
CID 62047918
3,4-difluoro-2-(2-fluoro-4-methylanilino)-5-[[3-fluoro-2-(oxan-4-ylsulfamoylamino)-4-pyridinyl]methyl]benzamide
CID 167289383
1-[3,4,6-trifluoro-2-(2-fluoro-4-methylanilino)phenyl]ethanone
CID 176938927
N-[1-ethyl-2-[(2-fluoro-4-methylphenyl)methyl]-5-methyl-6-oxo-3-pyridinyl]cyclopropanesulfonamide
CID 159206718
N-[3,4-difluoro-2-[2-fluoro-4-(1H-pyrazol-5-yl)anilino]phenyl]cyclopropanesulfonamide
CID 59386340
N-[3-(3,4-difluoroanilino)pyrazin-2-yl]cyclopropanesulfonamide
CID 174878508
6-bromo-N-(2-fluoro-4-methylphenyl)imidazo[1,2-a]pyrazin-8-amine
CID 79956291

Frequently Asked Questions

What is the IUPAC name of N-[6-(2-fluoro-4-methylanilino)-7-prop-1-en-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]cyclopropanesulfonamide?
The IUPAC name of N-[6-(2-fluoro-4-methylanilino)-7-prop-1-en-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]cyclopropanesulfonamide (CID 123152958) is N-[6-(2-fluoro-4-methylanilino)-7-prop-1-en-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]cyclopropanesulfonamide.
What is the SMILES notation for N-[6-(2-fluoro-4-methylanilino)-7-prop-1-en-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]cyclopropanesulfonamide?
The canonical SMILES for N-[6-(2-fluoro-4-methylanilino)-7-prop-1-en-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]cyclopropanesulfonamide is C=C(C)c1c(Nc2ccc(C)cc2F)c(NS(=O)(=O)C2CC2)nc2ccnn12.
What is the InChIKey of N-[6-(2-fluoro-4-methylanilino)-7-prop-1-en-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]cyclopropanesulfonamide?
The InChIKey is OQXSNAFNUKMGSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN5O2S/c1-11(2)18-17(22-15-7-4-12(3)10-14(15)20)19(23-16-8-9-21-25(16)18)24-28(26,27)13-5-6-13/h4,7-10,13,22H,1,5-6H2,2-3H3,(H,23,24).
What are the key properties of N-[6-(2-fluoro-4-methylanilino)-7-prop-1-en-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]cyclopropanesulfonamide?
N-[6-(2-fluoro-4-methylanilino)-7-prop-1-en-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]cyclopropanesulfonamide has a molecular weight of 401.47 g/mol, XLogP of 3.86, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-fluoro-4-methylanilino)-7-prop-1-en-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]cyclopropanesulfonamide is sourced from PubChem (CID 123152958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).