5-(4-bromophenyl)-2-phenylpyrazolo[1,5-a]pyrimidin-7-amine

C18H13BrN4 — CID 1087278

IUPAC5-(4-bromophenyl)-2-phenylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESNc1cc(-c2ccc(Br)cc2)nc2cc(-c3ccccc3)nn12
InChIInChI=1S/C18H13BrN4/c19-14-8-6-13(7-9-14)15-10-17(20)23-18(21-15)11-16(22-23)12-4-2-1-3-5-12/h1-11H,20H2
InChIKeyZARNPRLVNXTAQH-UHFFFAOYSA-N
MW365.23 g/mol
LogP4.41
Rot. Bonds2

About 5-(4-bromophenyl)-2-phenylpyrazolo[1,5-a]pyrimidin-7-amine

5-(4-bromophenyl)-2-phenylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 1087278) has the molecular formula C18H13BrN4 and a molecular weight of 365.23 g/mol. Its IUPAC name is 5-(4-bromophenyl)-2-phenylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-(4-bromophenyl)-2-phenylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID1087278
Molecular FormulaC18H13BrN4
Molecular Weight365.23 g/mol
Exact Mass364.03
IUPAC Name5-(4-bromophenyl)-2-phenylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESNc1cc(-c2ccc(Br)cc2)nc2cc(-c3ccccc3)nn12
InChIInChI=1S/C18H13BrN4/c19-14-8-6-13(7-9-14)15-10-17(20)23-18(21-15)11-16(22-23)12-4-2-1-3-5-12/h1-11H,20H2
InChIKeyZARNPRLVNXTAQH-UHFFFAOYSA-N
XLogP4.41
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.23
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5,7-Dimethyl-2-phenylpyrazolo[1,5-a]pyrimidine
CID 737207
3-bromo-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 10249180
3-bromo-5-phenyl-N-(pyrimidin-5-ylmethyl)pyrazolo(1,5-a)pyridin-7-amine
CID 10317619
3-bromo-5-phenyl-N-(pyridin-4-ylmethyl)pyrazolo(1,5-a)pyrimidin-7-amine
CID 10339710
5-Methyl-7-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
CID 975713
2-(4-Bromophenyl)imidazo[2,1-a]phthalazin-6-amine
CID 3673394
N-(4-bromo-3-methylphenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 5307102
1,3-diphenyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 5327820
5-(3-bromophenyl)-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 23586143
3-(3-Bromobenzyl)-1-Tert-Butyl-1h-Pyrazolo[3,4-D]pyrimidin-4-Amine
CID 24865027
3-(4-Bromophenyl)triazolo[1,5-a]quinazolin-5-amine
CID 2804214
N-benzyl-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 4366552

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-2-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-(4-bromophenyl)-2-phenylpyrazolo[1,5-a]pyrimidin-7-amine (CID 1087278) is 5-(4-bromophenyl)-2-phenylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-(4-bromophenyl)-2-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-(4-bromophenyl)-2-phenylpyrazolo[1,5-a]pyrimidin-7-amine is Nc1cc(-c2ccc(Br)cc2)nc2cc(-c3ccccc3)nn12.
What is the InChIKey of 5-(4-bromophenyl)-2-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is ZARNPRLVNXTAQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13BrN4/c19-14-8-6-13(7-9-14)15-10-17(20)23-18(21-15)11-16(22-23)12-4-2-1-3-5-12/h1-11H,20H2.
What are the key properties of 5-(4-bromophenyl)-2-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
5-(4-bromophenyl)-2-phenylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 365.23 g/mol, XLogP of 4.41, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-2-phenylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 1087278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).