2-[[3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]prop-2-en-1-ol

C15H12BrClN4O — CID 145499680

IUPAC2-[[3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]prop-2-en-1-ol
SMILESC=C(CO)Nc1cc(-c2ccccc2Cl)nc2c(Br)cnn12
InChIInChI=1S/C15H12BrClN4O/c1-9(8-22)19-14-6-13(10-4-2-3-5-12(10)17)20-15-11(16)7-18-21(14)15/h2-7,19,22H,1,8H2
InChIKeyROSXKPICULKUHH-UHFFFAOYSA-N
MW379.65 g/mol
LogP3.73
Rot. Bonds4

About 2-[[3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]prop-2-en-1-ol

2-[[3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]prop-2-en-1-ol (PubChem CID 145499680) has the molecular formula C15H12BrClN4O and a molecular weight of 379.65 g/mol. Its IUPAC name is 2-[[3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]prop-2-en-1-ol.

Molecular Properties

Compound Name2-[[3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]prop-2-en-1-ol
PubChem CID145499680
Molecular FormulaC15H12BrClN4O
Molecular Weight379.65 g/mol
Exact Mass377.99
IUPAC Name2-[[3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]prop-2-en-1-ol
SMILESC=C(CO)Nc1cc(-c2ccccc2Cl)nc2c(Br)cnn12
InChIInChI=1S/C15H12BrClN4O/c1-9(8-22)19-14-6-13(10-4-2-3-5-12(10)17)20-15-11(16)7-18-21(14)15/h2-7,19,22H,1,8H2
InChIKeyROSXKPICULKUHH-UHFFFAOYSA-N
XLogP3.73
TPSA62.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.65
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-bromo-5-(2-chlorophenyl)-N-[[3-[1-(2,3-dihydro-1H-inden-2-yl)ethenylamino]phenyl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 89058070
N'-[3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylbutane-1,4-diamine;ethane
CID 143090193
N-[[4-[[[3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]phenyl]methyl]acetamide
CID 21068332
N-[(4-aminophenyl)methyl]-3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine;ethane
CID 142871130
3-bromo-5-(2-chlorophenyl)-N-(1-methylpiperidin-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 71205395
N-[4-[[[3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]phenyl]-2,2-diphenylacetamide
CID 21068149
N-[4-[[3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]butyl]-2,6-dichlorobenzamide
CID 21068040
3-bromo-5-(2-chlorophenyl)-N-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 10435170
1-[3-[[[3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]phenyl]-3-(3-methylphenyl)urea
CID 21065800
N-[[4-[[[3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]phenyl]methyl]cyclopropanecarboxamide
CID 21068340
N-[4-[[[3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]phenyl]-2-methyl-3-phenylpropanamide
CID 21068167
N-[4-[[[3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]phenyl]-3-phenylpropanamide
CID 21068200

Frequently Asked Questions

What is the IUPAC name of 2-[[3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]prop-2-en-1-ol?
The IUPAC name of 2-[[3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]prop-2-en-1-ol (CID 145499680) is 2-[[3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]prop-2-en-1-ol.
What is the SMILES notation for 2-[[3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]prop-2-en-1-ol?
The canonical SMILES for 2-[[3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]prop-2-en-1-ol is C=C(CO)Nc1cc(-c2ccccc2Cl)nc2c(Br)cnn12.
What is the InChIKey of 2-[[3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]prop-2-en-1-ol?
The InChIKey is ROSXKPICULKUHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrClN4O/c1-9(8-22)19-14-6-13(10-4-2-3-5-12(10)17)20-15-11(16)7-18-21(14)15/h2-7,19,22H,1,8H2.
What are the key properties of 2-[[3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]prop-2-en-1-ol?
2-[[3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]prop-2-en-1-ol has a molecular weight of 379.65 g/mol, XLogP of 3.73, 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-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]prop-2-en-1-ol is sourced from PubChem (CID 145499680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).