N-(5-fluoro-2-methylphenyl)-2-[(1-methylpyrazol-4-yl)amino]propanamide

C14H17FN4O — CID 75507032

IUPACN-(5-fluoro-2-methylphenyl)-2-[(1-methylpyrazol-4-yl)amino]propanamide
SMILESCc1ccc(F)cc1NC(=O)C(C)Nc1cnn(C)c1
InChIInChI=1S/C14H17FN4O/c1-9-4-5-11(15)6-13(9)18-14(20)10(2)17-12-7-16-19(3)8-12/h4-8,10,17H,1-3H3,(H,18,20)
InChIKeyWPLJIQHXIUGBAW-UHFFFAOYSA-N
MW276.31 g/mol
LogP2.31
Rot. Bonds4

About N-(5-fluoro-2-methylphenyl)-2-[(1-methylpyrazol-4-yl)amino]propanamide

N-(5-fluoro-2-methylphenyl)-2-[(1-methylpyrazol-4-yl)amino]propanamide (PubChem CID 75507032) has the molecular formula C14H17FN4O and a molecular weight of 276.31 g/mol. Its IUPAC name is N-(5-fluoro-2-methylphenyl)-2-[(1-methylpyrazol-4-yl)amino]propanamide.

Molecular Properties

Compound NameN-(5-fluoro-2-methylphenyl)-2-[(1-methylpyrazol-4-yl)amino]propanamide
PubChem CID75507032
Molecular FormulaC14H17FN4O
Molecular Weight276.31 g/mol
Exact Mass276.14
IUPAC NameN-(5-fluoro-2-methylphenyl)-2-[(1-methylpyrazol-4-yl)amino]propanamide
SMILESCc1ccc(F)cc1NC(=O)C(C)Nc1cnn(C)c1
InChIInChI=1S/C14H17FN4O/c1-9-4-5-11(15)6-13(9)18-14(20)10(2)17-12-7-16-19(3)8-12/h4-8,10,17H,1-3H3,(H,18,20)
InChIKeyWPLJIQHXIUGBAW-UHFFFAOYSA-N
XLogP2.31
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-(5-fluoro-2-methylphenyl)-2-[3-[(2-hydroxyacetyl)amino]anilino]propanamide
CID 95173879
(2R)-N-(3-chlorophenyl)-2-[(1-methylpyrazol-4-yl)amino]propanamide
CID 97347601
(2R)-N-(2,5-difluorophenyl)-2-(2,5-dimethylanilino)propanamide
CID 40954484
N-carbamoyl-2-[(1-methylpyrazol-4-yl)amino]propanamide
CID 79778444
2-[[1-(2,2-difluoroethyl)pyrazol-4-yl]amino]-N-(2-fluoro-4-methylphenyl)propanamide
CID 75507095
N-[1-(5-fluoro-2-methylanilino)-1-oxopropan-2-yl]-2,2-dimethylpropanamide
CID 42939047
(2S)-N-(5-fluoro-2-methylphenyl)-2-[(6-methoxypyrimidin-4-yl)amino]propanamide
CID 95120289
2-fluoro-N-[(2S)-1-(5-fluoro-2-methylanilino)-1-oxopropan-2-yl]benzamide
CID 51604994
N-[(2S)-1-(5-fluoro-2-methylanilino)-1-oxopropan-2-yl]pyrazolo[1,5-a]pyridine-7-carboxamide
CID 95717323
N-[1-(5-fluoro-2-methylanilino)-1-oxopropan-2-yl]cyclohexanecarboxamide
CID 50875684
3-chloro-N-(5-fluoro-2-methylphenyl)-2-methylpropanamide
CID 62729006
N-(5-fluoro-2-methylphenyl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]propanamide
CID 111114110

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2-methylphenyl)-2-[(1-methylpyrazol-4-yl)amino]propanamide?
The IUPAC name of N-(5-fluoro-2-methylphenyl)-2-[(1-methylpyrazol-4-yl)amino]propanamide (CID 75507032) is N-(5-fluoro-2-methylphenyl)-2-[(1-methylpyrazol-4-yl)amino]propanamide.
What is the SMILES notation for N-(5-fluoro-2-methylphenyl)-2-[(1-methylpyrazol-4-yl)amino]propanamide?
The canonical SMILES for N-(5-fluoro-2-methylphenyl)-2-[(1-methylpyrazol-4-yl)amino]propanamide is Cc1ccc(F)cc1NC(=O)C(C)Nc1cnn(C)c1.
What is the InChIKey of N-(5-fluoro-2-methylphenyl)-2-[(1-methylpyrazol-4-yl)amino]propanamide?
The InChIKey is WPLJIQHXIUGBAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN4O/c1-9-4-5-11(15)6-13(9)18-14(20)10(2)17-12-7-16-19(3)8-12/h4-8,10,17H,1-3H3,(H,18,20).
What are the key properties of N-(5-fluoro-2-methylphenyl)-2-[(1-methylpyrazol-4-yl)amino]propanamide?
N-(5-fluoro-2-methylphenyl)-2-[(1-methylpyrazol-4-yl)amino]propanamide has a molecular weight of 276.31 g/mol, XLogP of 2.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-2-methylphenyl)-2-[(1-methylpyrazol-4-yl)amino]propanamide is sourced from PubChem (CID 75507032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).