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

C14H14FN5O — CID 82012929

IUPAC2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(2-cyano-4-fluorophenyl)acetamide
SMILESCc1nn(CC(=O)Nc2ccc(F)cc2C#N)c(C)c1N
InChIInChI=1S/C14H14FN5O/c1-8-14(17)9(2)20(19-8)7-13(21)18-12-4-3-11(15)5-10(12)6-16/h3-5H,7,17H2,1-2H3,(H,18,21)
InChIKeyFZQSCVNKZFNOEI-UHFFFAOYSA-N
MW287.30 g/mol
LogP1.73
Rot. Bonds3

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

2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(2-cyano-4-fluorophenyl)acetamide (PubChem CID 82012929) has the molecular formula C14H14FN5O and a molecular weight of 287.30 g/mol. Its IUPAC name is 2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(2-cyano-4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(2-cyano-4-fluorophenyl)acetamide
PubChem CID82012929
Molecular FormulaC14H14FN5O
Molecular Weight287.30 g/mol
Exact Mass287.12
IUPAC Name2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(2-cyano-4-fluorophenyl)acetamide
SMILESCc1nn(CC(=O)Nc2ccc(F)cc2C#N)c(C)c1N
InChIInChI=1S/C14H14FN5O/c1-8-14(17)9(2)20(19-8)7-13(21)18-12-4-3-11(15)5-10(12)6-16/h3-5H,7,17H2,1-2H3,(H,18,21)
InChIKeyFZQSCVNKZFNOEI-UHFFFAOYSA-N
XLogP1.73
TPSA96.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.30
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(4-chloro-3-cyanophenyl)acetamide
CID 61118687
4-amino-N-(2-cyano-4-fluorophenyl)-1,3-dimethylpyrazole-5-carboxamide
CID 82014018
N-(2-cyano-4-fluorophenyl)propanamide
CID 79952819
2-[(4-amino-1-ethyl-3-methylpyrazol-5-yl)amino]-5-fluorobenzonitrile
CID 82014680
2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(2,6-difluorophenyl)acetamide
CID 43445438
ethyl 4-(2-cyano-4-fluoroanilino)-4-oxobutanoate
CID 79952676
N-(2-cyano-4-fluorophenyl)-3,3-dimethylbutanamide
CID 79953681
2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(3-bromo-4-fluorophenyl)acetamide
CID 104775388
4-amino-N-(2-cyano-4-fluorophenyl)-4-methylpentanamide
CID 82015813
2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-[2-(dimethylamino)phenyl]acetamide
CID 106759281
2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(2,3-dichlorophenyl)acetamide
CID 43445407
N-(2-cyano-4-fluorophenyl)-2-(2-methylphenyl)acetamide
CID 79955008

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(2-cyano-4-fluorophenyl)acetamide?
The IUPAC name of 2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(2-cyano-4-fluorophenyl)acetamide (CID 82012929) is 2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(2-cyano-4-fluorophenyl)acetamide.
What is the SMILES notation for 2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(2-cyano-4-fluorophenyl)acetamide?
The canonical SMILES for 2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(2-cyano-4-fluorophenyl)acetamide is Cc1nn(CC(=O)Nc2ccc(F)cc2C#N)c(C)c1N.
What is the InChIKey of 2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(2-cyano-4-fluorophenyl)acetamide?
The InChIKey is FZQSCVNKZFNOEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN5O/c1-8-14(17)9(2)20(19-8)7-13(21)18-12-4-3-11(15)5-10(12)6-16/h3-5H,7,17H2,1-2H3,(H,18,21).
What are the key properties of 2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(2-cyano-4-fluorophenyl)acetamide?
2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(2-cyano-4-fluorophenyl)acetamide has a molecular weight of 287.30 g/mol, XLogP of 1.73, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(2-cyano-4-fluorophenyl)acetamide is sourced from PubChem (CID 82012929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).