4-(2-bromo-4-pyridinyl)-5-(4-fluorophenyl)-1H-pyrazol-3-amine

C14H10BrFN4 — CID 22909031

IUPAC4-(2-bromo-4-pyridinyl)-5-(4-fluorophenyl)-1H-pyrazol-3-amine
SMILESNc1n[nH]c(-c2ccc(F)cc2)c1-c1ccnc(Br)c1
InChIInChI=1S/C14H10BrFN4/c15-11-7-9(5-6-18-11)12-13(19-20-14(12)17)8-1-3-10(16)4-2-8/h1-7H,(H3,17,19,20)
InChIKeyDPONFKZADQWNJK-UHFFFAOYSA-N
MW333.16 g/mol
LogP3.62
Rot. Bonds2

About 4-(2-bromo-4-pyridinyl)-5-(4-fluorophenyl)-1H-pyrazol-3-amine

4-(2-bromo-4-pyridinyl)-5-(4-fluorophenyl)-1H-pyrazol-3-amine (PubChem CID 22909031) has the molecular formula C14H10BrFN4 and a molecular weight of 333.16 g/mol. Its IUPAC name is 4-(2-bromo-4-pyridinyl)-5-(4-fluorophenyl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name4-(2-bromo-4-pyridinyl)-5-(4-fluorophenyl)-1H-pyrazol-3-amine
PubChem CID22909031
Molecular FormulaC14H10BrFN4
Molecular Weight333.16 g/mol
Exact Mass332.01
IUPAC Name4-(2-bromo-4-pyridinyl)-5-(4-fluorophenyl)-1H-pyrazol-3-amine
SMILESNc1n[nH]c(-c2ccc(F)cc2)c1-c1ccnc(Br)c1
InChIInChI=1S/C14H10BrFN4/c15-11-7-9(5-6-18-11)12-13(19-20-14(12)17)8-1-3-10(16)4-2-8/h1-7H,(H3,17,19,20)
InChIKeyDPONFKZADQWNJK-UHFFFAOYSA-N
XLogP3.62
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.16
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2-bromo-4-pyridinyl)-5-(4-fluorophenyl)-1H-pyrazol-3-amine?
The IUPAC name of 4-(2-bromo-4-pyridinyl)-5-(4-fluorophenyl)-1H-pyrazol-3-amine (CID 22909031) is 4-(2-bromo-4-pyridinyl)-5-(4-fluorophenyl)-1H-pyrazol-3-amine.
What is the SMILES notation for 4-(2-bromo-4-pyridinyl)-5-(4-fluorophenyl)-1H-pyrazol-3-amine?
The canonical SMILES for 4-(2-bromo-4-pyridinyl)-5-(4-fluorophenyl)-1H-pyrazol-3-amine is Nc1n[nH]c(-c2ccc(F)cc2)c1-c1ccnc(Br)c1.
What is the InChIKey of 4-(2-bromo-4-pyridinyl)-5-(4-fluorophenyl)-1H-pyrazol-3-amine?
The InChIKey is DPONFKZADQWNJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrFN4/c15-11-7-9(5-6-18-11)12-13(19-20-14(12)17)8-1-3-10(16)4-2-8/h1-7H,(H3,17,19,20).
What are the key properties of 4-(2-bromo-4-pyridinyl)-5-(4-fluorophenyl)-1H-pyrazol-3-amine?
4-(2-bromo-4-pyridinyl)-5-(4-fluorophenyl)-1H-pyrazol-3-amine has a molecular weight of 333.16 g/mol, XLogP of 3.62, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromo-4-pyridinyl)-5-(4-fluorophenyl)-1H-pyrazol-3-amine is sourced from PubChem (CID 22909031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).