N-(4-fluoro-3-nitrophenyl)-3-(4-methylpyrazol-1-yl)propanamide

C13H13FN4O3 — CID 87044969

IUPACN-(4-fluoro-3-nitrophenyl)-3-(4-methylpyrazol-1-yl)propanamide
SMILESCc1cnn(CCC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)c1
InChIInChI=1S/C13H13FN4O3/c1-9-7-15-17(8-9)5-4-13(19)16-10-2-3-11(14)12(6-10)18(20)21/h2-3,6-8H,4-5H2,1H3,(H,16,19)
InChIKeyBSGVRXYXXWSYLX-UHFFFAOYSA-N
MW292.27 g/mol
LogP2.27
Rot. Bonds5

About N-(4-fluoro-3-nitrophenyl)-3-(4-methylpyrazol-1-yl)propanamide

N-(4-fluoro-3-nitrophenyl)-3-(4-methylpyrazol-1-yl)propanamide (PubChem CID 87044969) has the molecular formula C13H13FN4O3 and a molecular weight of 292.27 g/mol. Its IUPAC name is N-(4-fluoro-3-nitrophenyl)-3-(4-methylpyrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(4-fluoro-3-nitrophenyl)-3-(4-methylpyrazol-1-yl)propanamide
PubChem CID87044969
Molecular FormulaC13H13FN4O3
Molecular Weight292.27 g/mol
Exact Mass292.10
IUPAC NameN-(4-fluoro-3-nitrophenyl)-3-(4-methylpyrazol-1-yl)propanamide
SMILESCc1cnn(CCC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)c1
InChIInChI=1S/C13H13FN4O3/c1-9-7-15-17(8-9)5-4-13(19)16-10-2-3-11(14)12(6-10)18(20)21/h2-3,6-8H,4-5H2,1H3,(H,16,19)
InChIKeyBSGVRXYXXWSYLX-UHFFFAOYSA-N
XLogP2.27
TPSA90.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.27
LogP ≤ 52.27
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-(3-amino-4-fluorophenyl)-3-(4-methylpyrazol-1-yl)propanamide
CID 60873279
N,N'-bis(4-fluoro-3-nitrophenyl)pentanediamide
CID 4303961
N-(4-aminophenyl)-3-(4-methylpyrazol-1-yl)propanamide
CID 60871929
2-[2-(4-fluoro-3-nitroanilino)-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide
CID 40715000
N-(3-amino-4-chlorophenyl)-3-(4-methylpyrazol-1-yl)propanamide
CID 60873846
N-(4-fluoro-3-nitrophenyl)-2-(4-methylphenyl)sulfanylacetamide
CID 9212079
N-[3-(4-fluoro-3-nitroanilino)-3-oxopropyl]-2,2-dimethylpropanamide
CID 33172062
N-(4-fluoro-3-nitrophenyl)-5-hydroxypentanamide
CID 79198639
N-(2-amino-4-fluorophenyl)-3-(4-methylpyrazol-1-yl)propanamide
CID 60872907
N-(4-fluoro-3-nitrophenyl)-2-[[5-(2-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 41382079
5-amino-N-(4-fluoro-3-nitrophenyl)-4-methylpentanamide
CID 82011167
N-(3,5-difluorophenyl)-3-(4-nitropyrazol-1-yl)propanamide
CID 60573218

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-3-nitrophenyl)-3-(4-methylpyrazol-1-yl)propanamide?
The IUPAC name of N-(4-fluoro-3-nitrophenyl)-3-(4-methylpyrazol-1-yl)propanamide (CID 87044969) is N-(4-fluoro-3-nitrophenyl)-3-(4-methylpyrazol-1-yl)propanamide.
What is the SMILES notation for N-(4-fluoro-3-nitrophenyl)-3-(4-methylpyrazol-1-yl)propanamide?
The canonical SMILES for N-(4-fluoro-3-nitrophenyl)-3-(4-methylpyrazol-1-yl)propanamide is Cc1cnn(CCC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)c1.
What is the InChIKey of N-(4-fluoro-3-nitrophenyl)-3-(4-methylpyrazol-1-yl)propanamide?
The InChIKey is BSGVRXYXXWSYLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN4O3/c1-9-7-15-17(8-9)5-4-13(19)16-10-2-3-11(14)12(6-10)18(20)21/h2-3,6-8H,4-5H2,1H3,(H,16,19).
What are the key properties of N-(4-fluoro-3-nitrophenyl)-3-(4-methylpyrazol-1-yl)propanamide?
N-(4-fluoro-3-nitrophenyl)-3-(4-methylpyrazol-1-yl)propanamide has a molecular weight of 292.27 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-3-nitrophenyl)-3-(4-methylpyrazol-1-yl)propanamide is sourced from PubChem (CID 87044969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).