2-[ethyl-[(1-ethylpyrazol-4-yl)methyl]amino]-N-(3-fluoro-2-methylphenyl)acetamide

C17H23FN4O — CID 50950634

IUPAC2-[ethyl-[(1-ethylpyrazol-4-yl)methyl]amino]-N-(3-fluoro-2-methylphenyl)acetamide
SMILESCCN(CC(=O)Nc1cccc(F)c1C)Cc1cnn(CC)c1
InChIInChI=1S/C17H23FN4O/c1-4-21(10-14-9-19-22(5-2)11-14)12-17(23)20-16-8-6-7-15(18)13(16)3/h6-9,11H,4-5,10,12H2,1-3H3,(H,20,23)
InChIKeyWUEBEOGNISXDSU-UHFFFAOYSA-N
MW318.40 g/mol
LogP2.81
Rot. Bonds7

About 2-[ethyl-[(1-ethylpyrazol-4-yl)methyl]amino]-N-(3-fluoro-2-methylphenyl)acetamide

2-[ethyl-[(1-ethylpyrazol-4-yl)methyl]amino]-N-(3-fluoro-2-methylphenyl)acetamide (PubChem CID 50950634) has the molecular formula C17H23FN4O and a molecular weight of 318.40 g/mol. Its IUPAC name is 2-[ethyl-[(1-ethylpyrazol-4-yl)methyl]amino]-N-(3-fluoro-2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[ethyl-[(1-ethylpyrazol-4-yl)methyl]amino]-N-(3-fluoro-2-methylphenyl)acetamide
PubChem CID50950634
Molecular FormulaC17H23FN4O
Molecular Weight318.40 g/mol
Exact Mass318.19
IUPAC Name2-[ethyl-[(1-ethylpyrazol-4-yl)methyl]amino]-N-(3-fluoro-2-methylphenyl)acetamide
SMILESCCN(CC(=O)Nc1cccc(F)c1C)Cc1cnn(CC)c1
InChIInChI=1S/C17H23FN4O/c1-4-21(10-14-9-19-22(5-2)11-14)12-17(23)20-16-8-6-7-15(18)13(16)3/h6-9,11H,4-5,10,12H2,1-3H3,(H,20,23)
InChIKeyWUEBEOGNISXDSU-UHFFFAOYSA-N
XLogP2.81
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[(1-ethylpyrazol-4-yl)methyl]amino]-N-(3-fluoro-2-methylphenyl)acetamide?
The IUPAC name of 2-[ethyl-[(1-ethylpyrazol-4-yl)methyl]amino]-N-(3-fluoro-2-methylphenyl)acetamide (CID 50950634) is 2-[ethyl-[(1-ethylpyrazol-4-yl)methyl]amino]-N-(3-fluoro-2-methylphenyl)acetamide.
What is the SMILES notation for 2-[ethyl-[(1-ethylpyrazol-4-yl)methyl]amino]-N-(3-fluoro-2-methylphenyl)acetamide?
The canonical SMILES for 2-[ethyl-[(1-ethylpyrazol-4-yl)methyl]amino]-N-(3-fluoro-2-methylphenyl)acetamide is CCN(CC(=O)Nc1cccc(F)c1C)Cc1cnn(CC)c1.
What is the InChIKey of 2-[ethyl-[(1-ethylpyrazol-4-yl)methyl]amino]-N-(3-fluoro-2-methylphenyl)acetamide?
The InChIKey is WUEBEOGNISXDSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN4O/c1-4-21(10-14-9-19-22(5-2)11-14)12-17(23)20-16-8-6-7-15(18)13(16)3/h6-9,11H,4-5,10,12H2,1-3H3,(H,20,23).
What are the key properties of 2-[ethyl-[(1-ethylpyrazol-4-yl)methyl]amino]-N-(3-fluoro-2-methylphenyl)acetamide?
2-[ethyl-[(1-ethylpyrazol-4-yl)methyl]amino]-N-(3-fluoro-2-methylphenyl)acetamide has a molecular weight of 318.40 g/mol, XLogP of 2.81, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[(1-ethylpyrazol-4-yl)methyl]amino]-N-(3-fluoro-2-methylphenyl)acetamide is sourced from PubChem (CID 50950634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).