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

C14H10BrFN4 — CID 80523751

IUPAC5-(2-bromo-4-fluorophenyl)-4-pyridin-3-yl-1H-pyrazol-3-amine
SMILESNc1n[nH]c(-c2ccc(F)cc2Br)c1-c1cccnc1
InChIInChI=1S/C14H10BrFN4/c15-11-6-9(16)3-4-10(11)13-12(14(17)20-19-13)8-2-1-5-18-7-8/h1-7H,(H3,17,19,20)
InChIKeyKNVQPCDAPNUAOC-UHFFFAOYSA-N
MW333.16 g/mol
LogP3.62
Rot. Bonds2

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

5-(2-bromo-4-fluorophenyl)-4-pyridin-3-yl-1H-pyrazol-3-amine (PubChem CID 80523751) has the molecular formula C14H10BrFN4 and a molecular weight of 333.16 g/mol. Its IUPAC name is 5-(2-bromo-4-fluorophenyl)-4-pyridin-3-yl-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(2-bromo-4-fluorophenyl)-4-pyridin-3-yl-1H-pyrazol-3-amine
PubChem CID80523751
Molecular FormulaC14H10BrFN4
Molecular Weight333.16 g/mol
Exact Mass332.01
IUPAC Name5-(2-bromo-4-fluorophenyl)-4-pyridin-3-yl-1H-pyrazol-3-amine
SMILESNc1n[nH]c(-c2ccc(F)cc2Br)c1-c1cccnc1
InChIInChI=1S/C14H10BrFN4/c15-11-6-9(16)3-4-10(11)13-12(14(17)20-19-13)8-2-1-5-18-7-8/h1-7H,(H3,17,19,20)
InChIKeyKNVQPCDAPNUAOC-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

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Frequently Asked Questions

What is the IUPAC name of 5-(2-bromo-4-fluorophenyl)-4-pyridin-3-yl-1H-pyrazol-3-amine?
The IUPAC name of 5-(2-bromo-4-fluorophenyl)-4-pyridin-3-yl-1H-pyrazol-3-amine (CID 80523751) is 5-(2-bromo-4-fluorophenyl)-4-pyridin-3-yl-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(2-bromo-4-fluorophenyl)-4-pyridin-3-yl-1H-pyrazol-3-amine?
The canonical SMILES for 5-(2-bromo-4-fluorophenyl)-4-pyridin-3-yl-1H-pyrazol-3-amine is Nc1n[nH]c(-c2ccc(F)cc2Br)c1-c1cccnc1.
What is the InChIKey of 5-(2-bromo-4-fluorophenyl)-4-pyridin-3-yl-1H-pyrazol-3-amine?
The InChIKey is KNVQPCDAPNUAOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrFN4/c15-11-6-9(16)3-4-10(11)13-12(14(17)20-19-13)8-2-1-5-18-7-8/h1-7H,(H3,17,19,20).
What are the key properties of 5-(2-bromo-4-fluorophenyl)-4-pyridin-3-yl-1H-pyrazol-3-amine?
5-(2-bromo-4-fluorophenyl)-4-pyridin-3-yl-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 5-(2-bromo-4-fluorophenyl)-4-pyridin-3-yl-1H-pyrazol-3-amine is sourced from PubChem (CID 80523751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).