3-(4-fluorophenyl)-2-(4-nitrophenyl)-3,4-dihydropyrazol-5-amine

C15H13FN4O2 — CID 133180304

IUPAC3-(4-fluorophenyl)-2-(4-nitrophenyl)-3,4-dihydropyrazol-5-amine
SMILESNC1=NN(c2ccc([N+](=O)[O-])cc2)C(c2ccc(F)cc2)C1
InChIInChI=1S/C15H13FN4O2/c16-11-3-1-10(2-4-11)14-9-15(17)18-19(14)12-5-7-13(8-6-12)20(21)22/h1-8,14H,9H2,(H2,17,18)
InChIKeyJTPZZJWNUHVCRW-UHFFFAOYSA-N
MW300.29 g/mol
LogP2.96
Rot. Bonds3

About 3-(4-fluorophenyl)-2-(4-nitrophenyl)-3,4-dihydropyrazol-5-amine

3-(4-fluorophenyl)-2-(4-nitrophenyl)-3,4-dihydropyrazol-5-amine (PubChem CID 133180304) has the molecular formula C15H13FN4O2 and a molecular weight of 300.29 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-2-(4-nitrophenyl)-3,4-dihydropyrazol-5-amine.

Molecular Properties

Compound Name3-(4-fluorophenyl)-2-(4-nitrophenyl)-3,4-dihydropyrazol-5-amine
PubChem CID133180304
Molecular FormulaC15H13FN4O2
Molecular Weight300.29 g/mol
Exact Mass300.10
IUPAC Name3-(4-fluorophenyl)-2-(4-nitrophenyl)-3,4-dihydropyrazol-5-amine
SMILESNC1=NN(c2ccc([N+](=O)[O-])cc2)C(c2ccc(F)cc2)C1
InChIInChI=1S/C15H13FN4O2/c16-11-3-1-10(2-4-11)14-9-15(17)18-19(14)12-5-7-13(8-6-12)20(21)22/h1-8,14H,9H2,(H2,17,18)
InChIKeyJTPZZJWNUHVCRW-UHFFFAOYSA-N
XLogP2.96
TPSA84.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.29
LogP ≤ 52.96
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

3-(4-fluorophenyl)-2-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-5-amine
CID 133180308
(3R)-3-(4-fluorophenyl)-5-(4-methoxyphenyl)-2-(4-nitrophenyl)-3,4-dihydropyrazole
CID 7154940
4-[(3S)-5-(4-fluorophenyl)-2-(4-nitrophenyl)-3,4-dihydropyrazol-3-yl]-1-methylpyrazole
CID 51428308
(3S)-2,3-diphenyl-3,4-dihydropyrazol-5-amine
CID 92982843
1-(18F)fluoro-4-nitrobenzene;methane
CID 157351409
N,N-dimethyl-4-[(3R)-2-(4-nitrophenyl)-5-phenyl-3,4-dihydropyrazol-3-yl]aniline
CID 7194736
4-[(3R)-5-(4-fluorophenyl)-2-(4-nitrophenyl)-3,4-dihydropyrazol-3-yl]-1,5-dimethylpyrazole
CID 51424031
3-(4-chlorophenyl)-5-(4-ethylphenyl)-2-(4-nitrophenyl)-3,4-dihydropyrazole
CID 3562515
3-ethyl-2-(4-fluorophenyl)-3,4-dihydropyrazol-5-amine
CID 13309524
[2-(4-fluorophenyl)pyrrolidin-1-yl]-(4-nitrophenyl)methanone
CID 47019414
(3S)-2-(4-fluorophenyl)-5-methyl-3-(4-methylsulfonylphenyl)-3,4-dihydropyrazole
CID 44632375
1-ethyl-4-[(3R)-5-(4-fluorophenyl)-2-(4-nitrophenyl)-3,4-dihydropyrazol-3-yl]-5-methylpyrazole
CID 40554382

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-2-(4-nitrophenyl)-3,4-dihydropyrazol-5-amine?
The IUPAC name of 3-(4-fluorophenyl)-2-(4-nitrophenyl)-3,4-dihydropyrazol-5-amine (CID 133180304) is 3-(4-fluorophenyl)-2-(4-nitrophenyl)-3,4-dihydropyrazol-5-amine.
What is the SMILES notation for 3-(4-fluorophenyl)-2-(4-nitrophenyl)-3,4-dihydropyrazol-5-amine?
The canonical SMILES for 3-(4-fluorophenyl)-2-(4-nitrophenyl)-3,4-dihydropyrazol-5-amine is NC1=NN(c2ccc([N+](=O)[O-])cc2)C(c2ccc(F)cc2)C1.
What is the InChIKey of 3-(4-fluorophenyl)-2-(4-nitrophenyl)-3,4-dihydropyrazol-5-amine?
The InChIKey is JTPZZJWNUHVCRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN4O2/c16-11-3-1-10(2-4-11)14-9-15(17)18-19(14)12-5-7-13(8-6-12)20(21)22/h1-8,14H,9H2,(H2,17,18).
What are the key properties of 3-(4-fluorophenyl)-2-(4-nitrophenyl)-3,4-dihydropyrazol-5-amine?
3-(4-fluorophenyl)-2-(4-nitrophenyl)-3,4-dihydropyrazol-5-amine has a molecular weight of 300.29 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-2-(4-nitrophenyl)-3,4-dihydropyrazol-5-amine is sourced from PubChem (CID 133180304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).