(2R)-N-(4-fluoro-2-nitrophenyl)-2-(1,3,5-trimethylpyrazol-4-yl)propanamide

C15H17FN4O3 — CID 95598671

IUPAC(2R)-N-(4-fluoro-2-nitrophenyl)-2-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCc1nn(C)c(C)c1[C@@H](C)C(=O)Nc1ccc(F)cc1[N+](=O)[O-]
InChIInChI=1S/C15H17FN4O3/c1-8(14-9(2)18-19(4)10(14)3)15(21)17-12-6-5-11(16)7-13(12)20(22)23/h5-8H,1-4H3,(H,17,21)/t8-/m1/s1
InChIKeyVEWHBQSDWLXNSB-MRVPVSSYSA-N
MW320.32 g/mol
LogP2.83
Rot. Bonds4

About (2R)-N-(4-fluoro-2-nitrophenyl)-2-(1,3,5-trimethylpyrazol-4-yl)propanamide

(2R)-N-(4-fluoro-2-nitrophenyl)-2-(1,3,5-trimethylpyrazol-4-yl)propanamide (PubChem CID 95598671) has the molecular formula C15H17FN4O3 and a molecular weight of 320.32 g/mol. Its IUPAC name is (2R)-N-(4-fluoro-2-nitrophenyl)-2-(1,3,5-trimethylpyrazol-4-yl)propanamide.

Molecular Properties

Compound Name(2R)-N-(4-fluoro-2-nitrophenyl)-2-(1,3,5-trimethylpyrazol-4-yl)propanamide
PubChem CID95598671
Molecular FormulaC15H17FN4O3
Molecular Weight320.32 g/mol
Exact Mass320.13
IUPAC Name(2R)-N-(4-fluoro-2-nitrophenyl)-2-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCc1nn(C)c(C)c1[C@@H](C)C(=O)Nc1ccc(F)cc1[N+](=O)[O-]
InChIInChI=1S/C15H17FN4O3/c1-8(14-9(2)18-19(4)10(14)3)15(21)17-12-6-5-11(16)7-13(12)20(22)23/h5-8H,1-4H3,(H,17,21)/t8-/m1/s1
InChIKeyVEWHBQSDWLXNSB-MRVPVSSYSA-N
XLogP2.83
TPSA90.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.32
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4-fluoro-2-nitrophenyl)-2-(methylamino)propanamide
CID 55097088
(2S)-2-amino-N-(4-fluoro-2-nitrophenyl)-3-methylbutanamide
CID 61179807
(2R)-N-(2-fluoro-5-pyrrol-1-ylphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 95290074
(2S)-N-(3-fluoro-4-methylsulfanylphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 95777399
(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-fluoro-2-nitrophenyl)butanamide
CID 95977922
(2S)-2-amino-N-(4-fluoro-2-nitrophenyl)-3,3-dimethylbutanamide
CID 61179993
2-amino-N-(4-fluoro-2-nitrophenyl)-3,3-dimethylbutanamide
CID 76887834
(2S,3S)-2-amino-N-(4-fluoro-2-nitrophenyl)-3-methylpentanamide
CID 61179992
(2S)-N-(2,4-difluoro-6-phenylphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 97065122
4-amino-N-(4-fluoro-2-nitrophenyl)-3-methylbutanamide
CID 81075417
(4-fluoro-2-nitrophenyl)urea
CID 69476086
3-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(4-fluoro-2-methylphenyl)-2-methylpropanamide
CID 4865264

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-fluoro-2-nitrophenyl)-2-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The IUPAC name of (2R)-N-(4-fluoro-2-nitrophenyl)-2-(1,3,5-trimethylpyrazol-4-yl)propanamide (CID 95598671) is (2R)-N-(4-fluoro-2-nitrophenyl)-2-(1,3,5-trimethylpyrazol-4-yl)propanamide.
What is the SMILES notation for (2R)-N-(4-fluoro-2-nitrophenyl)-2-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The canonical SMILES for (2R)-N-(4-fluoro-2-nitrophenyl)-2-(1,3,5-trimethylpyrazol-4-yl)propanamide is Cc1nn(C)c(C)c1[C@@H](C)C(=O)Nc1ccc(F)cc1[N+](=O)[O-].
What is the InChIKey of (2R)-N-(4-fluoro-2-nitrophenyl)-2-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The InChIKey is VEWHBQSDWLXNSB-MRVPVSSYSA-N. The full InChI is InChI=1S/C15H17FN4O3/c1-8(14-9(2)18-19(4)10(14)3)15(21)17-12-6-5-11(16)7-13(12)20(22)23/h5-8H,1-4H3,(H,17,21)/t8-/m1/s1.
What are the key properties of (2R)-N-(4-fluoro-2-nitrophenyl)-2-(1,3,5-trimethylpyrazol-4-yl)propanamide?
(2R)-N-(4-fluoro-2-nitrophenyl)-2-(1,3,5-trimethylpyrazol-4-yl)propanamide has a molecular weight of 320.32 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4-fluoro-2-nitrophenyl)-2-(1,3,5-trimethylpyrazol-4-yl)propanamide is sourced from PubChem (CID 95598671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).