N-(2-amino-4-fluorophenyl)-2-(2,5-dimethylpyrazol-3-yl)sulfanylpropanamide

C14H17FN4OS — CID 62410476

IUPACN-(2-amino-4-fluorophenyl)-2-(2,5-dimethylpyrazol-3-yl)sulfanylpropanamide
SMILESCc1cc(SC(C)C(=O)Nc2ccc(F)cc2N)n(C)n1
InChIInChI=1S/C14H17FN4OS/c1-8-6-13(19(3)18-8)21-9(2)14(20)17-12-5-4-10(15)7-11(12)16/h4-7,9H,16H2,1-3H3,(H,17,20)
InChIKeyJCHNCUYXWLWHDL-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.57
Rot. Bonds4

About N-(2-amino-4-fluorophenyl)-2-(2,5-dimethylpyrazol-3-yl)sulfanylpropanamide

N-(2-amino-4-fluorophenyl)-2-(2,5-dimethylpyrazol-3-yl)sulfanylpropanamide (PubChem CID 62410476) has the molecular formula C14H17FN4OS and a molecular weight of 308.38 g/mol. Its IUPAC name is N-(2-amino-4-fluorophenyl)-2-(2,5-dimethylpyrazol-3-yl)sulfanylpropanamide.

Molecular Properties

Compound NameN-(2-amino-4-fluorophenyl)-2-(2,5-dimethylpyrazol-3-yl)sulfanylpropanamide
PubChem CID62410476
Molecular FormulaC14H17FN4OS
Molecular Weight308.38 g/mol
Exact Mass308.11
IUPAC NameN-(2-amino-4-fluorophenyl)-2-(2,5-dimethylpyrazol-3-yl)sulfanylpropanamide
SMILESCc1cc(SC(C)C(=O)Nc2ccc(F)cc2N)n(C)n1
InChIInChI=1S/C14H17FN4OS/c1-8-6-13(19(3)18-8)21-9(2)14(20)17-12-5-4-10(15)7-11(12)16/h4-7,9H,16H2,1-3H3,(H,17,20)
InChIKeyJCHNCUYXWLWHDL-UHFFFAOYSA-N
XLogP2.57
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(5-amino-2-methylphenyl)-2-(2,5-dimethylpyrazol-3-yl)sulfanylpropanamide
CID 62408592
N-(2-amino-4-fluorophenyl)-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 63538268
N-(3-amino-4-chlorophenyl)-2-(2,5-dimethylpyrazol-3-yl)sulfanylpropanamide
CID 62409917
N-(2-amino-4-fluorophenyl)-2-(4-chlorophenyl)sulfanylpropanamide
CID 43102247
1-(3,4-difluorophenyl)-2-(2,5-dimethylpyrazol-3-yl)sulfanylpropan-1-one
CID 62408787
(2R)-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-N-(2,4-difluorophenyl)propanamide
CID 8985865
(2R)-N-(2,4-difluorophenyl)-2-(2,4-difluorophenyl)sulfanylpropanamide
CID 8975147
N-(2,5-difluorophenyl)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide
CID 136685867
N-(2-amino-4-fluorophenyl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 28742326
(2S)-2-(2,5-difluorophenyl)sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 8972361
N-(2,4-difluorophenyl)-2-(4-methylphenyl)sulfanylpropanamide
CID 2947131
N-(2-amino-4-fluorophenyl)-2-(3-methylbutan-2-ylsulfonyl)propanamide
CID 107751528

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-fluorophenyl)-2-(2,5-dimethylpyrazol-3-yl)sulfanylpropanamide?
The IUPAC name of N-(2-amino-4-fluorophenyl)-2-(2,5-dimethylpyrazol-3-yl)sulfanylpropanamide (CID 62410476) is N-(2-amino-4-fluorophenyl)-2-(2,5-dimethylpyrazol-3-yl)sulfanylpropanamide.
What is the SMILES notation for N-(2-amino-4-fluorophenyl)-2-(2,5-dimethylpyrazol-3-yl)sulfanylpropanamide?
The canonical SMILES for N-(2-amino-4-fluorophenyl)-2-(2,5-dimethylpyrazol-3-yl)sulfanylpropanamide is Cc1cc(SC(C)C(=O)Nc2ccc(F)cc2N)n(C)n1.
What is the InChIKey of N-(2-amino-4-fluorophenyl)-2-(2,5-dimethylpyrazol-3-yl)sulfanylpropanamide?
The InChIKey is JCHNCUYXWLWHDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN4OS/c1-8-6-13(19(3)18-8)21-9(2)14(20)17-12-5-4-10(15)7-11(12)16/h4-7,9H,16H2,1-3H3,(H,17,20).
What are the key properties of N-(2-amino-4-fluorophenyl)-2-(2,5-dimethylpyrazol-3-yl)sulfanylpropanamide?
N-(2-amino-4-fluorophenyl)-2-(2,5-dimethylpyrazol-3-yl)sulfanylpropanamide has a molecular weight of 308.38 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-fluorophenyl)-2-(2,5-dimethylpyrazol-3-yl)sulfanylpropanamide is sourced from PubChem (CID 62410476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).