N-[cyano-(2-fluorophenyl)methyl]-2-(3,5-dimethylpyrazolidin-4-yl)acetamide

C15H19FN4O — CID 164643765

IUPACN-[cyano-(2-fluorophenyl)methyl]-2-(3,5-dimethylpyrazolidin-4-yl)acetamide
SMILESCC1NNC(C)C1CC(=O)NC(C#N)c1ccccc1F
InChIInChI=1S/C15H19FN4O/c1-9-12(10(2)20-19-9)7-15(21)18-14(8-17)11-5-3-4-6-13(11)16/h3-6,9-10,12,14,19-20H,7H2,1-2H3,(H,18,21)
InChIKeyOBUQIXALPJLANH-UHFFFAOYSA-N
MW290.34 g/mol
LogP1.40
Rot. Bonds4

About N-[cyano-(2-fluorophenyl)methyl]-2-(3,5-dimethylpyrazolidin-4-yl)acetamide

N-[cyano-(2-fluorophenyl)methyl]-2-(3,5-dimethylpyrazolidin-4-yl)acetamide (PubChem CID 164643765) has the molecular formula C15H19FN4O and a molecular weight of 290.34 g/mol. Its IUPAC name is N-[cyano-(2-fluorophenyl)methyl]-2-(3,5-dimethylpyrazolidin-4-yl)acetamide.

Molecular Properties

Compound NameN-[cyano-(2-fluorophenyl)methyl]-2-(3,5-dimethylpyrazolidin-4-yl)acetamide
PubChem CID164643765
Molecular FormulaC15H19FN4O
Molecular Weight290.34 g/mol
Exact Mass290.15
IUPAC NameN-[cyano-(2-fluorophenyl)methyl]-2-(3,5-dimethylpyrazolidin-4-yl)acetamide
SMILESCC1NNC(C)C1CC(=O)NC(C#N)c1ccccc1F
InChIInChI=1S/C15H19FN4O/c1-9-12(10(2)20-19-9)7-15(21)18-14(8-17)11-5-3-4-6-13(11)16/h3-6,9-10,12,14,19-20H,7H2,1-2H3,(H,18,21)
InChIKeyOBUQIXALPJLANH-UHFFFAOYSA-N
XLogP1.40
TPSA76.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(S)-cyano-(2-fluorophenyl)methyl]-3-propan-2-yloxypropanamide
CID 95617367
(2R)-N-[(S)-cyano-(2-fluorophenyl)methyl]-2-methylbutanamide
CID 95617372
N-[cyano-(2-fluorophenyl)methyl]cyclopropanecarboxamide
CID 82114013
N-[cyano-(2-fluorophenyl)methyl]-3-(4-propan-2-ylphenyl)propanamide
CID 56571896
(2R)-2-(2-fluorophenyl)-2-(methylamino)acetonitrile
CID 28520327
2-bromo-N-[(S)-cyano-(2-fluorophenyl)methyl]benzamide
CID 96533894
N-[(R)-cyano-(2-fluorophenyl)methyl]-2-(N-methyl-2-nitroanilino)acetamide
CID 95782040
N-[(S)-cyano-(2-fluorophenyl)methyl]-2-methyl-5-phenyl-1,3-oxazole-4-carboxamide
CID 99854848
N-[cyano-(2-fluorophenyl)methyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 56784288
4-(3-bromophenoxy)-N-[cyano-(2-fluorophenyl)methyl]butanamide
CID 56514887
N-[(R)-cyano-(2-fluorophenyl)methyl]-3-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)propanamide
CID 97228566
N-[cyano-(2-methoxyphenyl)methyl]propanamide
CID 56687193

Frequently Asked Questions

What is the IUPAC name of N-[cyano-(2-fluorophenyl)methyl]-2-(3,5-dimethylpyrazolidin-4-yl)acetamide?
The IUPAC name of N-[cyano-(2-fluorophenyl)methyl]-2-(3,5-dimethylpyrazolidin-4-yl)acetamide (CID 164643765) is N-[cyano-(2-fluorophenyl)methyl]-2-(3,5-dimethylpyrazolidin-4-yl)acetamide.
What is the SMILES notation for N-[cyano-(2-fluorophenyl)methyl]-2-(3,5-dimethylpyrazolidin-4-yl)acetamide?
The canonical SMILES for N-[cyano-(2-fluorophenyl)methyl]-2-(3,5-dimethylpyrazolidin-4-yl)acetamide is CC1NNC(C)C1CC(=O)NC(C#N)c1ccccc1F.
What is the InChIKey of N-[cyano-(2-fluorophenyl)methyl]-2-(3,5-dimethylpyrazolidin-4-yl)acetamide?
The InChIKey is OBUQIXALPJLANH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN4O/c1-9-12(10(2)20-19-9)7-15(21)18-14(8-17)11-5-3-4-6-13(11)16/h3-6,9-10,12,14,19-20H,7H2,1-2H3,(H,18,21).
What are the key properties of N-[cyano-(2-fluorophenyl)methyl]-2-(3,5-dimethylpyrazolidin-4-yl)acetamide?
N-[cyano-(2-fluorophenyl)methyl]-2-(3,5-dimethylpyrazolidin-4-yl)acetamide has a molecular weight of 290.34 g/mol, XLogP of 1.40, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyano-(2-fluorophenyl)methyl]-2-(3,5-dimethylpyrazolidin-4-yl)acetamide is sourced from PubChem (CID 164643765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).