2-(5-amino-4-cyano-3-methylpyrazol-1-yl)-N-(4-fluorophenyl)acetamide

C13H12FN5O — CID 71918815

IUPAC2-(5-amino-4-cyano-3-methylpyrazol-1-yl)-N-(4-fluorophenyl)acetamide
SMILESCc1nn(CC(=O)Nc2ccc(F)cc2)c(N)c1C#N
InChIInChI=1S/C13H12FN5O/c1-8-11(6-15)13(16)19(18-8)7-12(20)17-10-4-2-9(14)3-5-10/h2-5H,7,16H2,1H3,(H,17,20)
InChIKeyGZWAOTLOXTVWLE-UHFFFAOYSA-N
MW273.27 g/mol
LogP1.42
Rot. Bonds3

About 2-(5-amino-4-cyano-3-methylpyrazol-1-yl)-N-(4-fluorophenyl)acetamide

2-(5-amino-4-cyano-3-methylpyrazol-1-yl)-N-(4-fluorophenyl)acetamide (PubChem CID 71918815) has the molecular formula C13H12FN5O and a molecular weight of 273.27 g/mol. Its IUPAC name is 2-(5-amino-4-cyano-3-methylpyrazol-1-yl)-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-(5-amino-4-cyano-3-methylpyrazol-1-yl)-N-(4-fluorophenyl)acetamide
PubChem CID71918815
Molecular FormulaC13H12FN5O
Molecular Weight273.27 g/mol
Exact Mass273.10
IUPAC Name2-(5-amino-4-cyano-3-methylpyrazol-1-yl)-N-(4-fluorophenyl)acetamide
SMILESCc1nn(CC(=O)Nc2ccc(F)cc2)c(N)c1C#N
InChIInChI=1S/C13H12FN5O/c1-8-11(6-15)13(16)19(18-8)7-12(20)17-10-4-2-9(14)3-5-10/h2-5H,7,16H2,1H3,(H,17,20)
InChIKeyGZWAOTLOXTVWLE-UHFFFAOYSA-N
XLogP1.42
TPSA96.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.27
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-fluorophenyl)-2-[4-(hydroxymethyl)-3,5-dimethylpyrazol-1-yl]acetamide
CID 43647382
2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)-N-(4-fluorophenyl)acetamide
CID 5306782
2-(5-aminotetrazol-1-yl)-N-(4-fluorophenyl)acetamide
CID 829145
2-(3-amino-5-cyano-2-ethylpyrrol-1-yl)-N-(4-fluorophenyl)acetamide
CID 100769365
2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(4-chloro-3-cyanophenyl)acetamide
CID 61118687
2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(2-cyano-4-fluorophenyl)acetamide
CID 82012929
N-(4-fluorophenyl)-2-[4-[furan-2-ylmethyl(methyl)sulfamoyl]-3,5-dimethylpyrazol-1-yl]acetamide
CID 36660035
2-(5-amino-4-cyano-1-phenylpyrazol-3-yl)-N-(4-methylphenyl)acetamide
CID 139822594
1-[2-(4-fluoroanilino)-2-oxoethyl]-N-(4-methylphenyl)-6-oxopyridazine-3-carboxamide
CID 26845085
2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(3-bromo-4-fluorophenyl)acetamide
CID 104775388
2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 24630123
2-[1-(3,4-dimethylphenyl)-4-methyl-7-oxopyrazolo[4,5-d]pyridazin-6-yl]-N-(4-fluorophenyl)acetamide
CID 16846814

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-4-cyano-3-methylpyrazol-1-yl)-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-(5-amino-4-cyano-3-methylpyrazol-1-yl)-N-(4-fluorophenyl)acetamide (CID 71918815) is 2-(5-amino-4-cyano-3-methylpyrazol-1-yl)-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-(5-amino-4-cyano-3-methylpyrazol-1-yl)-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-(5-amino-4-cyano-3-methylpyrazol-1-yl)-N-(4-fluorophenyl)acetamide is Cc1nn(CC(=O)Nc2ccc(F)cc2)c(N)c1C#N.
What is the InChIKey of 2-(5-amino-4-cyano-3-methylpyrazol-1-yl)-N-(4-fluorophenyl)acetamide?
The InChIKey is GZWAOTLOXTVWLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN5O/c1-8-11(6-15)13(16)19(18-8)7-12(20)17-10-4-2-9(14)3-5-10/h2-5H,7,16H2,1H3,(H,17,20).
What are the key properties of 2-(5-amino-4-cyano-3-methylpyrazol-1-yl)-N-(4-fluorophenyl)acetamide?
2-(5-amino-4-cyano-3-methylpyrazol-1-yl)-N-(4-fluorophenyl)acetamide has a molecular weight of 273.27 g/mol, XLogP of 1.42, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-4-cyano-3-methylpyrazol-1-yl)-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 71918815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).