2-[(3-bromo-5-cyclohexylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propan-1-ol

C15H21BrN4O — CID 21065701

IUPAC2-[(3-bromo-5-cyclohexylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propan-1-ol
SMILESCC(CO)Nc1cc(C2CCCCC2)nc2c(Br)cnn12
InChIInChI=1S/C15H21BrN4O/c1-10(9-21)18-14-7-13(11-5-3-2-4-6-11)19-15-12(16)8-17-20(14)15/h7-8,10-11,18,21H,2-6,9H2,1H3
InChIKeyVXXDLQVYADSCRC-UHFFFAOYSA-N
MW353.26 g/mol
LogP3.33
Rot. Bonds4

About 2-[(3-bromo-5-cyclohexylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propan-1-ol

2-[(3-bromo-5-cyclohexylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propan-1-ol (PubChem CID 21065701) has the molecular formula C15H21BrN4O and a molecular weight of 353.26 g/mol. Its IUPAC name is 2-[(3-bromo-5-cyclohexylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propan-1-ol.

Molecular Properties

Compound Name2-[(3-bromo-5-cyclohexylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propan-1-ol
PubChem CID21065701
Molecular FormulaC15H21BrN4O
Molecular Weight353.26 g/mol
Exact Mass352.09
IUPAC Name2-[(3-bromo-5-cyclohexylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propan-1-ol
SMILESCC(CO)Nc1cc(C2CCCCC2)nc2c(Br)cnn12
InChIInChI=1S/C15H21BrN4O/c1-10(9-21)18-14-7-13(11-5-3-2-4-6-11)19-15-12(16)8-17-20(14)15/h7-8,10-11,18,21H,2-6,9H2,1H3
InChIKeyVXXDLQVYADSCRC-UHFFFAOYSA-N
XLogP3.33
TPSA62.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.26
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromo-5-cyclohexylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propan-1-ol?
The IUPAC name of 2-[(3-bromo-5-cyclohexylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propan-1-ol (CID 21065701) is 2-[(3-bromo-5-cyclohexylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propan-1-ol.
What is the SMILES notation for 2-[(3-bromo-5-cyclohexylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propan-1-ol?
The canonical SMILES for 2-[(3-bromo-5-cyclohexylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propan-1-ol is CC(CO)Nc1cc(C2CCCCC2)nc2c(Br)cnn12.
What is the InChIKey of 2-[(3-bromo-5-cyclohexylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propan-1-ol?
The InChIKey is VXXDLQVYADSCRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN4O/c1-10(9-21)18-14-7-13(11-5-3-2-4-6-11)19-15-12(16)8-17-20(14)15/h7-8,10-11,18,21H,2-6,9H2,1H3.
What are the key properties of 2-[(3-bromo-5-cyclohexylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propan-1-ol?
2-[(3-bromo-5-cyclohexylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propan-1-ol has a molecular weight of 353.26 g/mol, XLogP of 3.33, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromo-5-cyclohexylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propan-1-ol is sourced from PubChem (CID 21065701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).