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

C15H14BrClN4 — CID 21066962

IUPAC3-bromo-5-(2-chlorophenyl)-N-propylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCCNc1cc(-c2ccccc2Cl)nc2c(Br)cnn12
InChIInChI=1S/C15H14BrClN4/c1-2-7-18-14-8-13(10-5-3-4-6-12(10)17)20-15-11(16)9-19-21(14)15/h3-6,8-9,18H,2,7H2,1H3
InChIKeyKMLUVSGZYOUCAX-UHFFFAOYSA-N
MW365.66 g/mol
LogP4.63
Rot. Bonds4

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

3-bromo-5-(2-chlorophenyl)-N-propylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 21066962) has the molecular formula C15H14BrClN4 and a molecular weight of 365.66 g/mol. Its IUPAC name is 3-bromo-5-(2-chlorophenyl)-N-propylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name3-bromo-5-(2-chlorophenyl)-N-propylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID21066962
Molecular FormulaC15H14BrClN4
Molecular Weight365.66 g/mol
Exact Mass364.01
IUPAC Name3-bromo-5-(2-chlorophenyl)-N-propylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCCNc1cc(-c2ccccc2Cl)nc2c(Br)cnn12
InChIInChI=1S/C15H14BrClN4/c1-2-7-18-14-8-13(10-5-3-4-6-12(10)17)20-15-11(16)9-19-21(14)15/h3-6,8-9,18H,2,7H2,1H3
InChIKeyKMLUVSGZYOUCAX-UHFFFAOYSA-N
XLogP4.63
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.66
LogP ≤ 54.63
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-propylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 3-bromo-5-(2-chlorophenyl)-N-propylpyrazolo[1,5-a]pyrimidin-7-amine (CID 21066962) is 3-bromo-5-(2-chlorophenyl)-N-propylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 3-bromo-5-(2-chlorophenyl)-N-propylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 3-bromo-5-(2-chlorophenyl)-N-propylpyrazolo[1,5-a]pyrimidin-7-amine is CCCNc1cc(-c2ccccc2Cl)nc2c(Br)cnn12.
What is the InChIKey of 3-bromo-5-(2-chlorophenyl)-N-propylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is KMLUVSGZYOUCAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClN4/c1-2-7-18-14-8-13(10-5-3-4-6-12(10)17)20-15-11(16)9-19-21(14)15/h3-6,8-9,18H,2,7H2,1H3.
What are the key properties of 3-bromo-5-(2-chlorophenyl)-N-propylpyrazolo[1,5-a]pyrimidin-7-amine?
3-bromo-5-(2-chlorophenyl)-N-propylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 365.66 g/mol, XLogP of 4.63, 4 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-propylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 21066962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).