1-(4-bromophenyl)-4-pyrazol-1-ylpyrazolo[5,4-d]pyrimidine

C14H9BrN6 — CID 110435884

IUPAC1-(4-bromophenyl)-4-pyrazol-1-ylpyrazolo[5,4-d]pyrimidine
SMILESBrc1ccc(-n2ncc3c(-n4cccn4)ncnc32)cc1
InChIInChI=1S/C14H9BrN6/c15-10-2-4-11(5-3-10)21-14-12(8-19-21)13(16-9-17-14)20-7-1-6-18-20/h1-9H
InChIKeyDAFMYWIEIDSDGQ-UHFFFAOYSA-N
MW341.17 g/mol
LogP2.76
Rot. Bonds2

About 1-(4-bromophenyl)-4-pyrazol-1-ylpyrazolo[5,4-d]pyrimidine

1-(4-bromophenyl)-4-pyrazol-1-ylpyrazolo[5,4-d]pyrimidine (PubChem CID 110435884) has the molecular formula C14H9BrN6 and a molecular weight of 341.17 g/mol. Its IUPAC name is 1-(4-bromophenyl)-4-pyrazol-1-ylpyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name1-(4-bromophenyl)-4-pyrazol-1-ylpyrazolo[5,4-d]pyrimidine
PubChem CID110435884
Molecular FormulaC14H9BrN6
Molecular Weight341.17 g/mol
Exact Mass340.01
IUPAC Name1-(4-bromophenyl)-4-pyrazol-1-ylpyrazolo[5,4-d]pyrimidine
SMILESBrc1ccc(-n2ncc3c(-n4cccn4)ncnc32)cc1
InChIInChI=1S/C14H9BrN6/c15-10-2-4-11(5-3-10)21-14-12(8-19-21)13(16-9-17-14)20-7-1-6-18-20/h1-9H
InChIKeyDAFMYWIEIDSDGQ-UHFFFAOYSA-N
XLogP2.76
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.17
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-bromophenyl)pyrazole
CID 10443564
4-(azepan-1-yl)-1-phenylpyrazolo[5,4-d]pyrimidine
CID 915603
1-phenyl-4-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine
CID 1050412
1-(4-bromophenyl)-N-ethylpyrazolo[3,4-d]pyrimidin-4-amine
CID 63022262
2-(4-bromoanilino)-1-[4-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]ethanone
CID 172639970
1-phenyl-4-[(3S)-3-pyridin-2-ylpyrrolidin-1-yl]pyrazolo[5,4-d]pyrimidine
CID 164635273
1-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-amine
CID 82192144
1-(4-bromophenyl)-4-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylbutan-1-one
CID 2496071
1-(4-methylphenyl)-4-(4-phenylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine
CID 7188740
4-(3,5-dimethylpiperidin-1-yl)-1-phenylpyrazolo[5,4-d]pyrimidine
CID 3756032
(4aS,8aR)-4-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)-1,3,4a,5,6,7,8,8a-octahydroquinoxalin-2-one
CID 97083241
1-(4-bromophenyl)-N-butan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 110432137

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-4-pyrazol-1-ylpyrazolo[5,4-d]pyrimidine?
The IUPAC name of 1-(4-bromophenyl)-4-pyrazol-1-ylpyrazolo[5,4-d]pyrimidine (CID 110435884) is 1-(4-bromophenyl)-4-pyrazol-1-ylpyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 1-(4-bromophenyl)-4-pyrazol-1-ylpyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 1-(4-bromophenyl)-4-pyrazol-1-ylpyrazolo[5,4-d]pyrimidine is Brc1ccc(-n2ncc3c(-n4cccn4)ncnc32)cc1.
What is the InChIKey of 1-(4-bromophenyl)-4-pyrazol-1-ylpyrazolo[5,4-d]pyrimidine?
The InChIKey is DAFMYWIEIDSDGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrN6/c15-10-2-4-11(5-3-10)21-14-12(8-19-21)13(16-9-17-14)20-7-1-6-18-20/h1-9H.
What are the key properties of 1-(4-bromophenyl)-4-pyrazol-1-ylpyrazolo[5,4-d]pyrimidine?
1-(4-bromophenyl)-4-pyrazol-1-ylpyrazolo[5,4-d]pyrimidine has a molecular weight of 341.17 g/mol, XLogP of 2.76, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-4-pyrazol-1-ylpyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 110435884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).