2-(3-aminopyrazol-1-yl)-N-(3-cyano-4-fluorophenyl)acetamide

C12H10FN5O — CID 62316767

IUPAC2-(3-aminopyrazol-1-yl)-N-(3-cyano-4-fluorophenyl)acetamide
SMILESN#Cc1cc(NC(=O)Cn2ccc(N)n2)ccc1F
InChIInChI=1S/C12H10FN5O/c13-10-2-1-9(5-8(10)6-14)16-12(19)7-18-4-3-11(15)17-18/h1-5H,7H2,(H2,15,17)(H,16,19)
InChIKeyKOHKXVMDHSIVET-UHFFFAOYSA-N
MW259.24 g/mol
LogP1.11
Rot. Bonds3

About 2-(3-aminopyrazol-1-yl)-N-(3-cyano-4-fluorophenyl)acetamide

2-(3-aminopyrazol-1-yl)-N-(3-cyano-4-fluorophenyl)acetamide (PubChem CID 62316767) has the molecular formula C12H10FN5O and a molecular weight of 259.24 g/mol. Its IUPAC name is 2-(3-aminopyrazol-1-yl)-N-(3-cyano-4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-(3-aminopyrazol-1-yl)-N-(3-cyano-4-fluorophenyl)acetamide
PubChem CID62316767
Molecular FormulaC12H10FN5O
Molecular Weight259.24 g/mol
Exact Mass259.09
IUPAC Name2-(3-aminopyrazol-1-yl)-N-(3-cyano-4-fluorophenyl)acetamide
SMILESN#Cc1cc(NC(=O)Cn2ccc(N)n2)ccc1F
InChIInChI=1S/C12H10FN5O/c13-10-2-1-9(5-8(10)6-14)16-12(19)7-18-4-3-11(15)17-18/h1-5H,7H2,(H2,15,17)(H,16,19)
InChIKeyKOHKXVMDHSIVET-UHFFFAOYSA-N
XLogP1.11
TPSA96.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.24
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-aminopyrazol-1-yl)-N-(3-chloro-4-cyanophenyl)acetamide
CID 55036060
2-(3-aminopyrazol-1-yl)-N-(3,4,5-trifluorophenyl)acetamide
CID 62810670
2-(3-aminopyrazol-1-yl)-N-(3-chlorophenyl)acetamide
CID 60783120
2-(3-aminopyrazol-1-yl)-N-[4-(dimethylamino)phenyl]acetamide
CID 62102860
2-(3-aminopyrazol-1-yl)-N-(4-methylsulfanylphenyl)acetamide
CID 62102213
2-(3-aminopyrazol-1-yl)-N-(2-fluoro-4-methylphenyl)acetamide
CID 62102678
2-anilino-N-(3-cyano-4-fluorophenyl)acetamide
CID 62316865
2-(3-aminopyrazol-1-yl)-N-(4-methoxyphenyl)acetamide
CID 55024845
2-(4-chlorophenyl)-N-(3-cyano-4-fluorophenyl)acetamide
CID 62316311
2-(4-aminophenoxy)-N-(3-cyano-4-fluorophenyl)acetamide
CID 62317828
2-(3-aminopyrazol-1-yl)-N-(2-chloro-4,6-difluorophenyl)acetamide
CID 83081539
2-(3-aminopyrazol-1-yl)-N-quinolin-3-ylacetamide
CID 62112556

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopyrazol-1-yl)-N-(3-cyano-4-fluorophenyl)acetamide?
The IUPAC name of 2-(3-aminopyrazol-1-yl)-N-(3-cyano-4-fluorophenyl)acetamide (CID 62316767) is 2-(3-aminopyrazol-1-yl)-N-(3-cyano-4-fluorophenyl)acetamide.
What is the SMILES notation for 2-(3-aminopyrazol-1-yl)-N-(3-cyano-4-fluorophenyl)acetamide?
The canonical SMILES for 2-(3-aminopyrazol-1-yl)-N-(3-cyano-4-fluorophenyl)acetamide is N#Cc1cc(NC(=O)Cn2ccc(N)n2)ccc1F.
What is the InChIKey of 2-(3-aminopyrazol-1-yl)-N-(3-cyano-4-fluorophenyl)acetamide?
The InChIKey is KOHKXVMDHSIVET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FN5O/c13-10-2-1-9(5-8(10)6-14)16-12(19)7-18-4-3-11(15)17-18/h1-5H,7H2,(H2,15,17)(H,16,19).
What are the key properties of 2-(3-aminopyrazol-1-yl)-N-(3-cyano-4-fluorophenyl)acetamide?
2-(3-aminopyrazol-1-yl)-N-(3-cyano-4-fluorophenyl)acetamide has a molecular weight of 259.24 g/mol, XLogP of 1.11, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopyrazol-1-yl)-N-(3-cyano-4-fluorophenyl)acetamide is sourced from PubChem (CID 62316767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).