1-(3-bromophenyl)-3-pyridin-4-ylpyrazol-4-amine

C14H11BrN4 — CID 83222758

IUPAC1-(3-bromophenyl)-3-pyridin-4-ylpyrazol-4-amine
SMILESNc1cn(-c2cccc(Br)c2)nc1-c1ccncc1
InChIInChI=1S/C14H11BrN4/c15-11-2-1-3-12(8-11)19-9-13(16)14(18-19)10-4-6-17-7-5-10/h1-9H,16H2
InChIKeyNQMGBUXKSBYOOS-UHFFFAOYSA-N
MW315.17 g/mol
LogP3.28
Rot. Bonds2

About 1-(3-bromophenyl)-3-pyridin-4-ylpyrazol-4-amine

1-(3-bromophenyl)-3-pyridin-4-ylpyrazol-4-amine (PubChem CID 83222758) has the molecular formula C14H11BrN4 and a molecular weight of 315.17 g/mol. Its IUPAC name is 1-(3-bromophenyl)-3-pyridin-4-ylpyrazol-4-amine.

Molecular Properties

Compound Name1-(3-bromophenyl)-3-pyridin-4-ylpyrazol-4-amine
PubChem CID83222758
Molecular FormulaC14H11BrN4
Molecular Weight315.17 g/mol
Exact Mass314.02
IUPAC Name1-(3-bromophenyl)-3-pyridin-4-ylpyrazol-4-amine
SMILESNc1cn(-c2cccc(Br)c2)nc1-c1ccncc1
InChIInChI=1S/C14H11BrN4/c15-11-2-1-3-12(8-11)19-9-13(16)14(18-19)10-4-6-17-7-5-10/h1-9H,16H2
InChIKeyNQMGBUXKSBYOOS-UHFFFAOYSA-N
XLogP3.28
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.17
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-bromophenyl)-1-(3-bromophenyl)pyrazol-4-amine
CID 83222386
1-(3-bromophenyl)-3-(5-methylfuran-2-yl)pyrazol-4-amine
CID 83223292
1-(3-bromophenyl)-3-(2-methylphenyl)pyrazol-4-amine
CID 83223068
1-(3-bromophenyl)-3-(1,3,5-trimethylpyrazol-4-yl)pyrazol-4-amine
CID 83204713
3-(3-bromophenyl)-1-(4-fluorophenyl)pyrazol-4-amine
CID 83222297
1-(3-bromophenyl)-3-(2,4-dimethylphenyl)pyrazol-4-amine
CID 83204539
4-(4-bromo-1-phenylpyrazol-3-yl)pyridine
CID 67295632
3-(4-bromophenyl)-1-(3,5-dimethylphenyl)pyrazol-4-amine
CID 83203402
3-(4-bromo-2-fluorophenyl)-1-(3-fluorophenyl)pyrazol-4-amine
CID 83204612
1-(4-nitrophenyl)-3-pyridin-4-ylpyrazol-4-amine
CID 83205383
3-(4-bromophenyl)-1-(4-methylphenyl)pyrazol-4-amine
CID 83217202
3-(3-bromo-4-fluorophenyl)-1-(3-chlorophenyl)pyrazol-4-amine
CID 83204855

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-3-pyridin-4-ylpyrazol-4-amine?
The IUPAC name of 1-(3-bromophenyl)-3-pyridin-4-ylpyrazol-4-amine (CID 83222758) is 1-(3-bromophenyl)-3-pyridin-4-ylpyrazol-4-amine.
What is the SMILES notation for 1-(3-bromophenyl)-3-pyridin-4-ylpyrazol-4-amine?
The canonical SMILES for 1-(3-bromophenyl)-3-pyridin-4-ylpyrazol-4-amine is Nc1cn(-c2cccc(Br)c2)nc1-c1ccncc1.
What is the InChIKey of 1-(3-bromophenyl)-3-pyridin-4-ylpyrazol-4-amine?
The InChIKey is NQMGBUXKSBYOOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN4/c15-11-2-1-3-12(8-11)19-9-13(16)14(18-19)10-4-6-17-7-5-10/h1-9H,16H2.
What are the key properties of 1-(3-bromophenyl)-3-pyridin-4-ylpyrazol-4-amine?
1-(3-bromophenyl)-3-pyridin-4-ylpyrazol-4-amine has a molecular weight of 315.17 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-3-pyridin-4-ylpyrazol-4-amine is sourced from PubChem (CID 83222758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).