2-amino-N-(4-fluoro-3-nitrophenyl)-2-(1-methylpyrazol-4-yl)acetamide

C12H12FN5O3 — CID 115289947

IUPAC2-amino-N-(4-fluoro-3-nitrophenyl)-2-(1-methylpyrazol-4-yl)acetamide
SMILESCn1cc(C(N)C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)cn1
InChIInChI=1S/C12H12FN5O3/c1-17-6-7(5-15-17)11(14)12(19)16-8-2-3-9(13)10(4-8)18(20)21/h2-6,11H,14H2,1H3,(H,16,19)
InChIKeyPQWBDJFIVBUXDV-UHFFFAOYSA-N
MW293.26 g/mol
LogP1.11
Rot. Bonds4

About 2-amino-N-(4-fluoro-3-nitrophenyl)-2-(1-methylpyrazol-4-yl)acetamide

2-amino-N-(4-fluoro-3-nitrophenyl)-2-(1-methylpyrazol-4-yl)acetamide (PubChem CID 115289947) has the molecular formula C12H12FN5O3 and a molecular weight of 293.26 g/mol. Its IUPAC name is 2-amino-N-(4-fluoro-3-nitrophenyl)-2-(1-methylpyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-amino-N-(4-fluoro-3-nitrophenyl)-2-(1-methylpyrazol-4-yl)acetamide
PubChem CID115289947
Molecular FormulaC12H12FN5O3
Molecular Weight293.26 g/mol
Exact Mass293.09
IUPAC Name2-amino-N-(4-fluoro-3-nitrophenyl)-2-(1-methylpyrazol-4-yl)acetamide
SMILESCn1cc(C(N)C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)cn1
InChIInChI=1S/C12H12FN5O3/c1-17-6-7(5-15-17)11(14)12(19)16-8-2-3-9(13)10(4-8)18(20)21/h2-6,11H,14H2,1H3,(H,16,19)
InChIKeyPQWBDJFIVBUXDV-UHFFFAOYSA-N
XLogP1.11
TPSA116.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.26
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

2-amino-N-(3,5-difluorophenyl)-2-(1-methylpyrazol-4-yl)acetamide
CID 115289637
(2S)-2-amino-N-(4-fluoro-3-nitrophenyl)propanamide
CID 61145688
2-amino-N-(4-iodophenyl)-2-(1-methylpyrazol-4-yl)acetamide
CID 115289709
5-[[2-amino-2-(1-methylpyrazol-4-yl)acetyl]amino]-2-hydroxybenzoic acid
CID 115290303
2-amino-N-(5-fluoro-3-pyridinyl)-2-(1-methylpyrazol-4-yl)acetamide
CID 114254664
2-amino-N-(3-fluoro-4-pyridinyl)-2-(1-methylpyrazol-4-yl)acetamide
CID 107594967
2-amino-N-(3-iodophenyl)-2-(1-methylpyrazol-4-yl)acetamide
CID 113279787
2-amino-N-(4-bromo-3,5-dimethylphenyl)-2-(1-methylpyrazol-4-yl)acetamide
CID 107574153
2-(aminomethyl)-N-(4-fluoro-3-nitrophenyl)butanamide
CID 65225395
2-amino-2-(1-methylpyrazol-4-yl)-N-quinolin-3-ylacetamide
CID 115289913
N-(4-fluoro-3-nitrophenyl)-3-(4-methylpyrazol-1-yl)propanamide
CID 87044969
(4-fluoro-3-nitrophenyl)carbamic acid
CID 22238368

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-fluoro-3-nitrophenyl)-2-(1-methylpyrazol-4-yl)acetamide?
The IUPAC name of 2-amino-N-(4-fluoro-3-nitrophenyl)-2-(1-methylpyrazol-4-yl)acetamide (CID 115289947) is 2-amino-N-(4-fluoro-3-nitrophenyl)-2-(1-methylpyrazol-4-yl)acetamide.
What is the SMILES notation for 2-amino-N-(4-fluoro-3-nitrophenyl)-2-(1-methylpyrazol-4-yl)acetamide?
The canonical SMILES for 2-amino-N-(4-fluoro-3-nitrophenyl)-2-(1-methylpyrazol-4-yl)acetamide is Cn1cc(C(N)C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)cn1.
What is the InChIKey of 2-amino-N-(4-fluoro-3-nitrophenyl)-2-(1-methylpyrazol-4-yl)acetamide?
The InChIKey is PQWBDJFIVBUXDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN5O3/c1-17-6-7(5-15-17)11(14)12(19)16-8-2-3-9(13)10(4-8)18(20)21/h2-6,11H,14H2,1H3,(H,16,19).
What are the key properties of 2-amino-N-(4-fluoro-3-nitrophenyl)-2-(1-methylpyrazol-4-yl)acetamide?
2-amino-N-(4-fluoro-3-nitrophenyl)-2-(1-methylpyrazol-4-yl)acetamide has a molecular weight of 293.26 g/mol, XLogP of 1.11, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-fluoro-3-nitrophenyl)-2-(1-methylpyrazol-4-yl)acetamide is sourced from PubChem (CID 115289947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).