4-(4-bromophenyl)-5-(3-fluoro-4-pyridinyl)-1H-pyrazol-3-amine

C14H10BrFN4 — CID 64949122

IUPAC4-(4-bromophenyl)-5-(3-fluoro-4-pyridinyl)-1H-pyrazol-3-amine
SMILESNc1n[nH]c(-c2ccncc2F)c1-c1ccc(Br)cc1
InChIInChI=1S/C14H10BrFN4/c15-9-3-1-8(2-4-9)12-13(19-20-14(12)17)10-5-6-18-7-11(10)16/h1-7H,(H3,17,19,20)
InChIKeyNEWSCIFEGZZKBQ-UHFFFAOYSA-N
MW333.16 g/mol
LogP3.62
Rot. Bonds2

About 4-(4-bromophenyl)-5-(3-fluoro-4-pyridinyl)-1H-pyrazol-3-amine

4-(4-bromophenyl)-5-(3-fluoro-4-pyridinyl)-1H-pyrazol-3-amine (PubChem CID 64949122) has the molecular formula C14H10BrFN4 and a molecular weight of 333.16 g/mol. Its IUPAC name is 4-(4-bromophenyl)-5-(3-fluoro-4-pyridinyl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name4-(4-bromophenyl)-5-(3-fluoro-4-pyridinyl)-1H-pyrazol-3-amine
PubChem CID64949122
Molecular FormulaC14H10BrFN4
Molecular Weight333.16 g/mol
Exact Mass332.01
IUPAC Name4-(4-bromophenyl)-5-(3-fluoro-4-pyridinyl)-1H-pyrazol-3-amine
SMILESNc1n[nH]c(-c2ccncc2F)c1-c1ccc(Br)cc1
InChIInChI=1S/C14H10BrFN4/c15-9-3-1-8(2-4-9)12-13(19-20-14(12)17)10-5-6-18-7-11(10)16/h1-7H,(H3,17,19,20)
InChIKeyNEWSCIFEGZZKBQ-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 4-(4-bromophenyl)-5-(3-fluoro-4-pyridinyl)-1H-pyrazol-3-amine?
The IUPAC name of 4-(4-bromophenyl)-5-(3-fluoro-4-pyridinyl)-1H-pyrazol-3-amine (CID 64949122) is 4-(4-bromophenyl)-5-(3-fluoro-4-pyridinyl)-1H-pyrazol-3-amine.
What is the SMILES notation for 4-(4-bromophenyl)-5-(3-fluoro-4-pyridinyl)-1H-pyrazol-3-amine?
The canonical SMILES for 4-(4-bromophenyl)-5-(3-fluoro-4-pyridinyl)-1H-pyrazol-3-amine is Nc1n[nH]c(-c2ccncc2F)c1-c1ccc(Br)cc1.
What is the InChIKey of 4-(4-bromophenyl)-5-(3-fluoro-4-pyridinyl)-1H-pyrazol-3-amine?
The InChIKey is NEWSCIFEGZZKBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrFN4/c15-9-3-1-8(2-4-9)12-13(19-20-14(12)17)10-5-6-18-7-11(10)16/h1-7H,(H3,17,19,20).
What are the key properties of 4-(4-bromophenyl)-5-(3-fluoro-4-pyridinyl)-1H-pyrazol-3-amine?
4-(4-bromophenyl)-5-(3-fluoro-4-pyridinyl)-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-(4-bromophenyl)-5-(3-fluoro-4-pyridinyl)-1H-pyrazol-3-amine is sourced from PubChem (CID 64949122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).