5-(4-fluorophenyl)-N-[2-(1H-imidazol-2-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine

C17H15FN6 — CID 56890855

IUPAC5-(4-fluorophenyl)-N-[2-(1H-imidazol-2-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESFc1ccc(-c2cc(NCCc3ncc[nH]3)n3nccc3n2)cc1
InChIInChI=1S/C17H15FN6/c18-13-3-1-12(2-4-13)14-11-17(24-16(23-14)6-8-22-24)21-7-5-15-19-9-10-20-15/h1-4,6,8-11,21H,5,7H2,(H,19,20)
InChIKeyYFGDVAHMQSWGAK-UHFFFAOYSA-N
MW322.35 g/mol
LogP2.91
Rot. Bonds5

About 5-(4-fluorophenyl)-N-[2-(1H-imidazol-2-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine

5-(4-fluorophenyl)-N-[2-(1H-imidazol-2-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 56890855) has the molecular formula C17H15FN6 and a molecular weight of 322.35 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-N-[2-(1H-imidazol-2-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-(4-fluorophenyl)-N-[2-(1H-imidazol-2-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID56890855
Molecular FormulaC17H15FN6
Molecular Weight322.35 g/mol
Exact Mass322.13
IUPAC Name5-(4-fluorophenyl)-N-[2-(1H-imidazol-2-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESFc1ccc(-c2cc(NCCc3ncc[nH]3)n3nccc3n2)cc1
InChIInChI=1S/C17H15FN6/c18-13-3-1-12(2-4-13)14-11-17(24-16(23-14)6-8-22-24)21-7-5-15-19-9-10-20-15/h1-4,6,8-11,21H,5,7H2,(H,19,20)
InChIKeyYFGDVAHMQSWGAK-UHFFFAOYSA-N
XLogP2.91
TPSA70.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.35
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2-fluorophenyl)-N-(1H-imidazol-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 56896235
5-(4-fluorophenyl)-N-[(4-methyl-2-pyridinyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 56885537
N-[3-(1H-imidazol-2-yl)propyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 90871760
N-[2-(1H-imidazol-5-yl)ethyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 56902858
5-(4-fluorophenyl)-N-(1-imidazol-1-ylbutan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 56897885
5-pyridin-4-yl-N-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 56894950
5-(4-fluorophenyl)-N-[(1R)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 95896744
5-(4-fluorophenyl)-N-(1-pyridin-3-ylpropyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 56918481
5-(4-fluorophenyl)-N-[(1R)-1-pyridin-3-ylpropyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 95863143
5-(4-fluorophenyl)-N-[(1S)-1-pyridin-3-ylpropyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 95863142
5-ethyl-N-[2-(4-fluorophenyl)sulfonylethyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 56890412
5-pyridin-4-yl-N-(2H-tetrazol-5-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 56888871

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-N-[2-(1H-imidazol-2-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-(4-fluorophenyl)-N-[2-(1H-imidazol-2-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine (CID 56890855) is 5-(4-fluorophenyl)-N-[2-(1H-imidazol-2-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-(4-fluorophenyl)-N-[2-(1H-imidazol-2-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-(4-fluorophenyl)-N-[2-(1H-imidazol-2-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine is Fc1ccc(-c2cc(NCCc3ncc[nH]3)n3nccc3n2)cc1.
What is the InChIKey of 5-(4-fluorophenyl)-N-[2-(1H-imidazol-2-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is YFGDVAHMQSWGAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN6/c18-13-3-1-12(2-4-13)14-11-17(24-16(23-14)6-8-22-24)21-7-5-15-19-9-10-20-15/h1-4,6,8-11,21H,5,7H2,(H,19,20).
What are the key properties of 5-(4-fluorophenyl)-N-[2-(1H-imidazol-2-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine?
5-(4-fluorophenyl)-N-[2-(1H-imidazol-2-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 322.35 g/mol, XLogP of 2.91, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-N-[2-(1H-imidazol-2-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 56890855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).