2-(1,5-dimethylpyrazol-4-yl)-2-(3-fluoro-5-methylanilino)acetamide

C14H17FN4O — CID 79583974

IUPAC2-(1,5-dimethylpyrazol-4-yl)-2-(3-fluoro-5-methylanilino)acetamide
SMILESCc1cc(F)cc(NC(C(N)=O)c2cnn(C)c2C)c1
InChIInChI=1S/C14H17FN4O/c1-8-4-10(15)6-11(5-8)18-13(14(16)20)12-7-17-19(3)9(12)2/h4-7,13,18H,1-3H3,(H2,16,20)
InChIKeyXQOIUXZOGASKDW-UHFFFAOYSA-N
MW276.31 g/mol
LogP1.81
Rot. Bonds4

About 2-(1,5-dimethylpyrazol-4-yl)-2-(3-fluoro-5-methylanilino)acetamide

2-(1,5-dimethylpyrazol-4-yl)-2-(3-fluoro-5-methylanilino)acetamide (PubChem CID 79583974) has the molecular formula C14H17FN4O and a molecular weight of 276.31 g/mol. Its IUPAC name is 2-(1,5-dimethylpyrazol-4-yl)-2-(3-fluoro-5-methylanilino)acetamide.

Molecular Properties

Compound Name2-(1,5-dimethylpyrazol-4-yl)-2-(3-fluoro-5-methylanilino)acetamide
PubChem CID79583974
Molecular FormulaC14H17FN4O
Molecular Weight276.31 g/mol
Exact Mass276.14
IUPAC Name2-(1,5-dimethylpyrazol-4-yl)-2-(3-fluoro-5-methylanilino)acetamide
SMILESCc1cc(F)cc(NC(C(N)=O)c2cnn(C)c2C)c1
InChIInChI=1S/C14H17FN4O/c1-8-4-10(15)6-11(5-8)18-13(14(16)20)12-7-17-19(3)9(12)2/h4-7,13,18H,1-3H3,(H2,16,20)
InChIKeyXQOIUXZOGASKDW-UHFFFAOYSA-N
XLogP1.81
TPSA72.94 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 ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-anilino-2-(1,5-dimethylpyrazol-4-yl)acetamide
CID 79583885
2-(1-ethylpyrazol-4-yl)-2-(3-fluoro-5-methylanilino)acetamide
CID 103569831
2-(2,3-difluorophenyl)-2-(3-fluoro-5-methylanilino)acetamide
CID 79044745
2-(3-fluoro-5-methylanilino)-2-(2-methoxyphenyl)acetamide
CID 79044484
2-(3-fluoro-5-methylanilino)-2-pyridin-3-ylacetamide
CID 79055306
2-(2-bromo-5-chlorophenyl)-2-(3-fluoro-5-methylanilino)acetamide
CID 79041273
2-anilino-2-(1,5-dimethylpyrazol-4-yl)acetic acid
CID 79584167
2-[2-(diethylamino)ethylamino]-2-(1,5-dimethylpyrazol-4-yl)acetamide
CID 79584534
[(3,5-difluorophenyl)-(1,5-dimethylpyrazol-4-yl)methyl]hydrazine
CID 105301848
(1,5-dimethylpyrazol-4-yl)-(3-fluoro-5-methylphenyl)methanol
CID 79705223
2-(3-fluoro-5-methylanilino)-2-(3-hydroxyphenyl)acetamide
CID 79055466
2-(3-bromoanilino)-2-(1,5-dimethylpyrazol-4-yl)acetic acid
CID 79583511

Frequently Asked Questions

What is the IUPAC name of 2-(1,5-dimethylpyrazol-4-yl)-2-(3-fluoro-5-methylanilino)acetamide?
The IUPAC name of 2-(1,5-dimethylpyrazol-4-yl)-2-(3-fluoro-5-methylanilino)acetamide (CID 79583974) is 2-(1,5-dimethylpyrazol-4-yl)-2-(3-fluoro-5-methylanilino)acetamide.
What is the SMILES notation for 2-(1,5-dimethylpyrazol-4-yl)-2-(3-fluoro-5-methylanilino)acetamide?
The canonical SMILES for 2-(1,5-dimethylpyrazol-4-yl)-2-(3-fluoro-5-methylanilino)acetamide is Cc1cc(F)cc(NC(C(N)=O)c2cnn(C)c2C)c1.
What is the InChIKey of 2-(1,5-dimethylpyrazol-4-yl)-2-(3-fluoro-5-methylanilino)acetamide?
The InChIKey is XQOIUXZOGASKDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN4O/c1-8-4-10(15)6-11(5-8)18-13(14(16)20)12-7-17-19(3)9(12)2/h4-7,13,18H,1-3H3,(H2,16,20).
What are the key properties of 2-(1,5-dimethylpyrazol-4-yl)-2-(3-fluoro-5-methylanilino)acetamide?
2-(1,5-dimethylpyrazol-4-yl)-2-(3-fluoro-5-methylanilino)acetamide has a molecular weight of 276.31 g/mol, XLogP of 1.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,5-dimethylpyrazol-4-yl)-2-(3-fluoro-5-methylanilino)acetamide is sourced from PubChem (CID 79583974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).