2-[(1,3-dimethylpyrazol-4-yl)amino]-N-(2-fluorophenyl)acetamide

C13H15FN4O — CID 102805391

IUPAC2-[(1,3-dimethylpyrazol-4-yl)amino]-N-(2-fluorophenyl)acetamide
SMILESCc1nn(C)cc1NCC(=O)Nc1ccccc1F
InChIInChI=1S/C13H15FN4O/c1-9-12(8-18(2)17-9)15-7-13(19)16-11-6-4-3-5-10(11)14/h3-6,8,15H,7H2,1-2H3,(H,16,19)
InChIKeyXVRFZOODCAHRPI-UHFFFAOYSA-N
MW262.29 g/mol
LogP1.92
Rot. Bonds4

About 2-[(1,3-dimethylpyrazol-4-yl)amino]-N-(2-fluorophenyl)acetamide

2-[(1,3-dimethylpyrazol-4-yl)amino]-N-(2-fluorophenyl)acetamide (PubChem CID 102805391) has the molecular formula C13H15FN4O and a molecular weight of 262.29 g/mol. Its IUPAC name is 2-[(1,3-dimethylpyrazol-4-yl)amino]-N-(2-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[(1,3-dimethylpyrazol-4-yl)amino]-N-(2-fluorophenyl)acetamide
PubChem CID102805391
Molecular FormulaC13H15FN4O
Molecular Weight262.29 g/mol
Exact Mass262.12
IUPAC Name2-[(1,3-dimethylpyrazol-4-yl)amino]-N-(2-fluorophenyl)acetamide
SMILESCc1nn(C)cc1NCC(=O)Nc1ccccc1F
InChIInChI=1S/C13H15FN4O/c1-9-12(8-18(2)17-9)15-7-13(19)16-11-6-4-3-5-10(11)14/h3-6,8,15H,7H2,1-2H3,(H,16,19)
InChIKeyXVRFZOODCAHRPI-UHFFFAOYSA-N
XLogP1.92
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1,3-dimethylpyrazol-4-yl)amino]-N-phenylacetamide
CID 102805405
N-(2-fluorophenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 45285304
N-(4-chlorophenyl)-2-[(1,3-dimethylpyrazol-4-yl)amino]acetamide
CID 102805280
N-(1,3-dimethylpyrazol-4-yl)-2-fluorobenzamide
CID 39854004
2-(2-ethylanilino)-N-(2-fluorophenyl)acetamide
CID 9105155
2-[2-(dimethylamino)anilino]-N-(2-fluorophenyl)acetamide
CID 106759760
2-(2,6-dimethylanilino)-N-(2-fluorophenyl)acetamide
CID 54818107
2-(3-chloro-2-methylanilino)-N-(2-fluorophenyl)acetamide
CID 9099260
N-(1,3-dimethylpyrazol-4-yl)-1-(2-fluorophenyl)cyclopropane-1-carboxamide
CID 134709973
N-(2-fluorophenyl)-2-[2-(1-methylpyrazol-3-yl)ethylamino]acetamide
CID 106104820
N-(2-fluorophenyl)-2-[2-(methoxymethyl)anilino]acetamide
CID 61062982
N-(1,3-dimethylpyrazol-4-yl)-2-sulfanylacetamide
CID 102807672

Frequently Asked Questions

What is the IUPAC name of 2-[(1,3-dimethylpyrazol-4-yl)amino]-N-(2-fluorophenyl)acetamide?
The IUPAC name of 2-[(1,3-dimethylpyrazol-4-yl)amino]-N-(2-fluorophenyl)acetamide (CID 102805391) is 2-[(1,3-dimethylpyrazol-4-yl)amino]-N-(2-fluorophenyl)acetamide.
What is the SMILES notation for 2-[(1,3-dimethylpyrazol-4-yl)amino]-N-(2-fluorophenyl)acetamide?
The canonical SMILES for 2-[(1,3-dimethylpyrazol-4-yl)amino]-N-(2-fluorophenyl)acetamide is Cc1nn(C)cc1NCC(=O)Nc1ccccc1F.
What is the InChIKey of 2-[(1,3-dimethylpyrazol-4-yl)amino]-N-(2-fluorophenyl)acetamide?
The InChIKey is XVRFZOODCAHRPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN4O/c1-9-12(8-18(2)17-9)15-7-13(19)16-11-6-4-3-5-10(11)14/h3-6,8,15H,7H2,1-2H3,(H,16,19).
What are the key properties of 2-[(1,3-dimethylpyrazol-4-yl)amino]-N-(2-fluorophenyl)acetamide?
2-[(1,3-dimethylpyrazol-4-yl)amino]-N-(2-fluorophenyl)acetamide has a molecular weight of 262.29 g/mol, XLogP of 1.92, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,3-dimethylpyrazol-4-yl)amino]-N-(2-fluorophenyl)acetamide is sourced from PubChem (CID 102805391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).