5-(4-fluorophenyl)-1-methyl-7-(2-phenylethynyl)-3-propylpyrazolo[4,3-d]pyrimidine

C23H19FN4 — CID 11523575

IUPAC5-(4-fluorophenyl)-1-methyl-7-(2-phenylethynyl)-3-propylpyrazolo[4,3-d]pyrimidine
SMILESCCCc1nn(C)c2c(C#Cc3ccccc3)nc(-c3ccc(F)cc3)nc12
InChIInChI=1S/C23H19FN4/c1-3-7-19-21-22(28(2)27-19)20(15-10-16-8-5-4-6-9-16)25-23(26-21)17-11-13-18(24)14-12-17/h4-6,8-9,11-14H,3,7H2,1-2H3
InChIKeyJXYHRDGSRHXTEX-UHFFFAOYSA-N
MW370.43 g/mol
LogP4.52
Rot. Bonds3

About 5-(4-fluorophenyl)-1-methyl-7-(2-phenylethynyl)-3-propylpyrazolo[4,3-d]pyrimidine

5-(4-fluorophenyl)-1-methyl-7-(2-phenylethynyl)-3-propylpyrazolo[4,3-d]pyrimidine (PubChem CID 11523575) has the molecular formula C23H19FN4 and a molecular weight of 370.43 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-1-methyl-7-(2-phenylethynyl)-3-propylpyrazolo[4,3-d]pyrimidine.

Molecular Properties

Compound Name5-(4-fluorophenyl)-1-methyl-7-(2-phenylethynyl)-3-propylpyrazolo[4,3-d]pyrimidine
PubChem CID11523575
Molecular FormulaC23H19FN4
Molecular Weight370.43 g/mol
Exact Mass370.16
IUPAC Name5-(4-fluorophenyl)-1-methyl-7-(2-phenylethynyl)-3-propylpyrazolo[4,3-d]pyrimidine
SMILESCCCc1nn(C)c2c(C#Cc3ccccc3)nc(-c3ccc(F)cc3)nc12
InChIInChI=1S/C23H19FN4/c1-3-7-19-21-22(28(2)27-19)20(15-10-16-8-5-4-6-9-16)25-23(26-21)17-11-13-18(24)14-12-17/h4-6,8-9,11-14H,3,7H2,1-2H3
InChIKeyJXYHRDGSRHXTEX-UHFFFAOYSA-N
XLogP4.52
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

7-(4-fluorophenoxy)-1-methyl-5-phenyl-3-propylpyrazolo[4,5-d]pyrimidine
CID 11581315
5-(4-fluorophenyl)-1-methyl-7-(4-methylsulfanylphenyl)-3-propylpyrazolo[4,5-d]pyrimidine
CID 11668307
N,5-bis(4-fluorophenyl)-1-methyl-3-propylpyrazolo[4,5-d]pyrimidin-7-amine
CID 11509910
5-(4-fluorophenyl)-7-indol-1-yl-1-methyl-3-propylpyrazolo[4,5-d]pyrimidine
CID 11682468
5-(4-fluorophenyl)-1-methyl-7-(4-methylsulfonylphenyl)-3-propylpyrazolo[4,5-d]pyrimidine
CID 11517462
7-chloro-5-(4-chlorophenyl)-1-methyl-3-propylpyrazolo[4,5-d]pyrimidine
CID 139219191
2-chloro-4-[(1-methyl-5-phenyl-3-propylpyrazolo[4,5-d]pyrimidin-7-yl)amino]phenol;hydrochloride
CID 135424677
5-(4-chlorophenyl)-N-[(E)-ethylideneamino]-1-methyl-3-propylpyrazolo[4,5-d]pyrimidin-7-amine
CID 139219210
5-(4-chlorophenyl)-7-(5,6-difluoro-1H-indol-3-yl)-1-methyl-3-propylpyrazolo[4,5-d]pyrimidine
CID 155729283
5-(3-bromo-4-fluorophenyl)-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one
CID 137159755
4-[7-[(3,4-dichlorophenyl)methylamino]-1-methyl-3-propylpyrazolo[4,5-d]pyrimidin-5-yl]benzoic acid
CID 23499048
5-(3-fluoro-4-methoxyphenyl)-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one
CID 136969652

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-1-methyl-7-(2-phenylethynyl)-3-propylpyrazolo[4,3-d]pyrimidine?
The IUPAC name of 5-(4-fluorophenyl)-1-methyl-7-(2-phenylethynyl)-3-propylpyrazolo[4,3-d]pyrimidine (CID 11523575) is 5-(4-fluorophenyl)-1-methyl-7-(2-phenylethynyl)-3-propylpyrazolo[4,3-d]pyrimidine.
What is the SMILES notation for 5-(4-fluorophenyl)-1-methyl-7-(2-phenylethynyl)-3-propylpyrazolo[4,3-d]pyrimidine?
The canonical SMILES for 5-(4-fluorophenyl)-1-methyl-7-(2-phenylethynyl)-3-propylpyrazolo[4,3-d]pyrimidine is CCCc1nn(C)c2c(C#Cc3ccccc3)nc(-c3ccc(F)cc3)nc12.
What is the InChIKey of 5-(4-fluorophenyl)-1-methyl-7-(2-phenylethynyl)-3-propylpyrazolo[4,3-d]pyrimidine?
The InChIKey is JXYHRDGSRHXTEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN4/c1-3-7-19-21-22(28(2)27-19)20(15-10-16-8-5-4-6-9-16)25-23(26-21)17-11-13-18(24)14-12-17/h4-6,8-9,11-14H,3,7H2,1-2H3.
What are the key properties of 5-(4-fluorophenyl)-1-methyl-7-(2-phenylethynyl)-3-propylpyrazolo[4,3-d]pyrimidine?
5-(4-fluorophenyl)-1-methyl-7-(2-phenylethynyl)-3-propylpyrazolo[4,3-d]pyrimidine has a molecular weight of 370.43 g/mol, XLogP of 4.52, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-1-methyl-7-(2-phenylethynyl)-3-propylpyrazolo[4,3-d]pyrimidine is sourced from PubChem (CID 11523575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).