3-bromo-5-(2-chlorophenyl)-N-cyclopropylpyrazolo[1,5-a]pyrimidin-7-amine

C15H12BrClN4 — CID 21066955

IUPAC3-bromo-5-(2-chlorophenyl)-N-cyclopropylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESClc1ccccc1-c1cc(NC2CC2)n2ncc(Br)c2n1
InChIInChI=1S/C15H12BrClN4/c16-11-8-18-21-14(19-9-5-6-9)7-13(20-15(11)21)10-3-1-2-4-12(10)17/h1-4,7-9,19H,5-6H2
InChIKeyAJPLFWQRQYAHSG-UHFFFAOYSA-N
MW363.65 g/mol
LogP4.39
Rot. Bonds3

About 3-bromo-5-(2-chlorophenyl)-N-cyclopropylpyrazolo[1,5-a]pyrimidin-7-amine

3-bromo-5-(2-chlorophenyl)-N-cyclopropylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 21066955) has the molecular formula C15H12BrClN4 and a molecular weight of 363.65 g/mol. Its IUPAC name is 3-bromo-5-(2-chlorophenyl)-N-cyclopropylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name3-bromo-5-(2-chlorophenyl)-N-cyclopropylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID21066955
Molecular FormulaC15H12BrClN4
Molecular Weight363.65 g/mol
Exact Mass361.99
IUPAC Name3-bromo-5-(2-chlorophenyl)-N-cyclopropylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESClc1ccccc1-c1cc(NC2CC2)n2ncc(Br)c2n1
InChIInChI=1S/C15H12BrClN4/c16-11-8-18-21-14(19-9-5-6-9)7-13(20-15(11)21)10-3-1-2-4-12(10)17/h1-4,7-9,19H,5-6H2
InChIKeyAJPLFWQRQYAHSG-UHFFFAOYSA-N
XLogP4.39
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.65
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-(2-chlorophenyl)-N-cyclopropylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 3-bromo-5-(2-chlorophenyl)-N-cyclopropylpyrazolo[1,5-a]pyrimidin-7-amine (CID 21066955) is 3-bromo-5-(2-chlorophenyl)-N-cyclopropylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 3-bromo-5-(2-chlorophenyl)-N-cyclopropylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 3-bromo-5-(2-chlorophenyl)-N-cyclopropylpyrazolo[1,5-a]pyrimidin-7-amine is Clc1ccccc1-c1cc(NC2CC2)n2ncc(Br)c2n1.
What is the InChIKey of 3-bromo-5-(2-chlorophenyl)-N-cyclopropylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is AJPLFWQRQYAHSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrClN4/c16-11-8-18-21-14(19-9-5-6-9)7-13(20-15(11)21)10-3-1-2-4-12(10)17/h1-4,7-9,19H,5-6H2.
What are the key properties of 3-bromo-5-(2-chlorophenyl)-N-cyclopropylpyrazolo[1,5-a]pyrimidin-7-amine?
3-bromo-5-(2-chlorophenyl)-N-cyclopropylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 363.65 g/mol, XLogP of 4.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-(2-chlorophenyl)-N-cyclopropylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 21066955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).