4-[7-[(4-fluorophenyl)methylamino]pyrazolo[1,5-a]pyrimidin-3-yl]phenol

C19H15FN4O — CID 126472402

IUPAC4-[7-[(4-fluorophenyl)methylamino]pyrazolo[1,5-a]pyrimidin-3-yl]phenol
SMILESOc1ccc(-c2cnn3c(NCc4ccc(F)cc4)ccnc23)cc1
InChIInChI=1S/C19H15FN4O/c20-15-5-1-13(2-6-15)11-22-18-9-10-21-19-17(12-23-24(18)19)14-3-7-16(25)8-4-14/h1-10,12,22,25H,11H2
InChIKeyUZRNQIVQYVRAHJ-UHFFFAOYSA-N
MW334.35 g/mol
LogP3.85
Rot. Bonds4

About 4-[7-[(4-fluorophenyl)methylamino]pyrazolo[1,5-a]pyrimidin-3-yl]phenol

4-[7-[(4-fluorophenyl)methylamino]pyrazolo[1,5-a]pyrimidin-3-yl]phenol (PubChem CID 126472402) has the molecular formula C19H15FN4O and a molecular weight of 334.35 g/mol. Its IUPAC name is 4-[7-[(4-fluorophenyl)methylamino]pyrazolo[1,5-a]pyrimidin-3-yl]phenol.

Molecular Properties

Compound Name4-[7-[(4-fluorophenyl)methylamino]pyrazolo[1,5-a]pyrimidin-3-yl]phenol
PubChem CID126472402
Molecular FormulaC19H15FN4O
Molecular Weight334.35 g/mol
Exact Mass334.12
IUPAC Name4-[7-[(4-fluorophenyl)methylamino]pyrazolo[1,5-a]pyrimidin-3-yl]phenol
SMILESOc1ccc(-c2cnn3c(NCc4ccc(F)cc4)ccnc23)cc1
InChIInChI=1S/C19H15FN4O/c20-15-5-1-13(2-6-15)11-22-18-9-10-21-19-17(12-23-24(18)19)14-3-7-16(25)8-4-14/h1-10,12,22,25H,11H2
InChIKeyUZRNQIVQYVRAHJ-UHFFFAOYSA-N
XLogP3.85
TPSA62.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.35
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Phtpp
CID 11201035
Crt 0066101
CID 136189563
6-(4-Methoxy-phenyl)-3-phenyl-pyrazolo[1,5-a]pyrimidine
CID 5329337
6-(4-Methoxyphenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
CID 5329457
6-(4-Methoxyphenyl)-3-(pyridin-3-yl)pyrazolo[1,5-a]pyrimidine
CID 5329458
4-[[6-(4-Fluorophenyl)-[1,2,4]triazolo[4,3-B][1,2,4]triazin-3-Yl]methyl]phenol
CID 11324689
4-[3-(4-Methoxyphenyl)pyrazolo[1,5-a]pyrimidin-6-yl]pyridine
CID 5329466
4-[(6-Phenyl[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)methyl]phenol
CID 24901697
4-{2-[(6-Methyl[1,2,4]triazolo[4,3-B]pyridazin-8-Yl)amino]ethyl}phenol
CID 86276157
4-((6-Phenyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl)phenol
CID 24901698
4-(3-Bromopyrazolo[1,5-a]pyrimidin-6-yl)phenol
CID 52947893
4-[6-Hydroxy-3-(4-hydroxyphenyl)pyrazolo[1,5-a]pyrimidin-2(1H)-ylidene]cyclohexa-2,5-dien-1-one
CID 135678114

Frequently Asked Questions

What is the IUPAC name of 4-[7-[(4-fluorophenyl)methylamino]pyrazolo[1,5-a]pyrimidin-3-yl]phenol?
The IUPAC name of 4-[7-[(4-fluorophenyl)methylamino]pyrazolo[1,5-a]pyrimidin-3-yl]phenol (CID 126472402) is 4-[7-[(4-fluorophenyl)methylamino]pyrazolo[1,5-a]pyrimidin-3-yl]phenol.
What is the SMILES notation for 4-[7-[(4-fluorophenyl)methylamino]pyrazolo[1,5-a]pyrimidin-3-yl]phenol?
The canonical SMILES for 4-[7-[(4-fluorophenyl)methylamino]pyrazolo[1,5-a]pyrimidin-3-yl]phenol is Oc1ccc(-c2cnn3c(NCc4ccc(F)cc4)ccnc23)cc1.
What is the InChIKey of 4-[7-[(4-fluorophenyl)methylamino]pyrazolo[1,5-a]pyrimidin-3-yl]phenol?
The InChIKey is UZRNQIVQYVRAHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN4O/c20-15-5-1-13(2-6-15)11-22-18-9-10-21-19-17(12-23-24(18)19)14-3-7-16(25)8-4-14/h1-10,12,22,25H,11H2.
What are the key properties of 4-[7-[(4-fluorophenyl)methylamino]pyrazolo[1,5-a]pyrimidin-3-yl]phenol?
4-[7-[(4-fluorophenyl)methylamino]pyrazolo[1,5-a]pyrimidin-3-yl]phenol has a molecular weight of 334.35 g/mol, XLogP of 3.85, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-[(4-fluorophenyl)methylamino]pyrazolo[1,5-a]pyrimidin-3-yl]phenol is sourced from PubChem (CID 126472402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).