5-(4-fluorophenyl)-N-[(1R)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine

C19H20FN7 — CID 95896744

IUPAC5-(4-fluorophenyl)-N-[(1R)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCCn1ncnc1[C@@H](C)Nc1cc(-c2ccc(F)cc2)nc2ccnn12
InChIInChI=1S/C19H20FN7/c1-3-10-26-19(21-12-23-26)13(2)24-18-11-16(14-4-6-15(20)7-5-14)25-17-8-9-22-27(17)18/h4-9,11-13,24H,3,10H2,1-2H3/t13-/m1/s1
InChIKeyGLZHTNZQFJQYSZ-CYBMUJFWSA-N
MW365.42 g/mol
LogP3.71
Rot. Bonds6

About 5-(4-fluorophenyl)-N-[(1R)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine

5-(4-fluorophenyl)-N-[(1R)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 95896744) has the molecular formula C19H20FN7 and a molecular weight of 365.42 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-N-[(1R)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-(4-fluorophenyl)-N-[(1R)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID95896744
Molecular FormulaC19H20FN7
Molecular Weight365.42 g/mol
Exact Mass365.18
IUPAC Name5-(4-fluorophenyl)-N-[(1R)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCCn1ncnc1[C@@H](C)Nc1cc(-c2ccc(F)cc2)nc2ccnn12
InChIInChI=1S/C19H20FN7/c1-3-10-26-19(21-12-23-26)13(2)24-18-11-16(14-4-6-15(20)7-5-14)25-17-8-9-22-27(17)18/h4-9,11-13,24H,3,10H2,1-2H3/t13-/m1/s1
InChIKeyGLZHTNZQFJQYSZ-CYBMUJFWSA-N
XLogP3.71
TPSA72.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.42
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-N-[(1R)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-(4-fluorophenyl)-N-[(1R)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine (CID 95896744) is 5-(4-fluorophenyl)-N-[(1R)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-(4-fluorophenyl)-N-[(1R)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-(4-fluorophenyl)-N-[(1R)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine is CCCn1ncnc1[C@@H](C)Nc1cc(-c2ccc(F)cc2)nc2ccnn12.
What is the InChIKey of 5-(4-fluorophenyl)-N-[(1R)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is GLZHTNZQFJQYSZ-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H20FN7/c1-3-10-26-19(21-12-23-26)13(2)24-18-11-16(14-4-6-15(20)7-5-14)25-17-8-9-22-27(17)18/h4-9,11-13,24H,3,10H2,1-2H3/t13-/m1/s1.
What are the key properties of 5-(4-fluorophenyl)-N-[(1R)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine?
5-(4-fluorophenyl)-N-[(1R)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 365.42 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-N-[(1R)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 95896744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).