2-[5-amino-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenol

C13H9F3N4O — CID 136705403

IUPAC2-[5-amino-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenol
SMILESNc1cc(-c2ccccc2O)n2nc(C(F)(F)F)cc2n1
InChIInChI=1S/C13H9F3N4O/c14-13(15,16)10-6-12-18-11(17)5-8(20(12)19-10)7-3-1-2-4-9(7)21/h1-6,21H,(H2,17,18)
InChIKeyMNFCQENPXMITGW-UHFFFAOYSA-N
MW294.24 g/mol
LogP2.70
Rot. Bonds1

About 2-[5-amino-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenol

2-[5-amino-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenol (PubChem CID 136705403) has the molecular formula C13H9F3N4O and a molecular weight of 294.24 g/mol. Its IUPAC name is 2-[5-amino-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenol.

Molecular Properties

Compound Name2-[5-amino-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenol
PubChem CID136705403
Molecular FormulaC13H9F3N4O
Molecular Weight294.24 g/mol
Exact Mass294.07
IUPAC Name2-[5-amino-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenol
SMILESNc1cc(-c2ccccc2O)n2nc(C(F)(F)F)cc2n1
InChIInChI=1S/C13H9F3N4O/c14-13(15,16)10-6-12-18-11(17)5-8(20(12)19-10)7-3-1-2-4-9(7)21/h1-6,21H,(H2,17,18)
InChIKeyMNFCQENPXMITGW-UHFFFAOYSA-N
XLogP2.70
TPSA76.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.24
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Phtpp
CID 11201035
4-((6-Phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl)phenol
CID 24901696
4,4'-(5,7-Bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2,3-diyl)diphenol
CID 135457889
4-[3-Phenyl-5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]phenol
CID 135409570
2-(2-Methoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine
CID 2818819
5-(4-Methoxyphenyl)-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 738352
4-[[6-(4-Fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]phenol
CID 57691336
4-(5-Butyl-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-phenol
CID 135738656
4-(4-amino-1-isopropyl-1H-pyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenol
CID 135947972
N-(2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-(2-hydroxyphenyl)pyrimidin-4-yl)acetamide
CID 136117757
4-(2-Hydroxyphenyl)-6-(4-iodophenyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-5-carbonitrile
CID 156207556
6-(4-Fluorophenyl)-4-(2-hydroxyphenyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-5-carbonitrile
CID 156207562

Frequently Asked Questions

What is the IUPAC name of 2-[5-amino-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenol?
The IUPAC name of 2-[5-amino-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenol (CID 136705403) is 2-[5-amino-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenol.
What is the SMILES notation for 2-[5-amino-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenol?
The canonical SMILES for 2-[5-amino-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenol is Nc1cc(-c2ccccc2O)n2nc(C(F)(F)F)cc2n1.
What is the InChIKey of 2-[5-amino-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenol?
The InChIKey is MNFCQENPXMITGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F3N4O/c14-13(15,16)10-6-12-18-11(17)5-8(20(12)19-10)7-3-1-2-4-9(7)21/h1-6,21H,(H2,17,18).
What are the key properties of 2-[5-amino-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenol?
2-[5-amino-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenol has a molecular weight of 294.24 g/mol, XLogP of 2.70, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-amino-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenol is sourced from PubChem (CID 136705403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).