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

C19H19FN6 — CID 56897885

IUPAC5-(4-fluorophenyl)-N-(1-imidazol-1-ylbutan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCC(Cn1ccnc1)Nc1cc(-c2ccc(F)cc2)nc2ccnn12
InChIInChI=1S/C19H19FN6/c1-2-16(12-25-10-9-21-13-25)23-19-11-17(14-3-5-15(20)6-4-14)24-18-7-8-22-26(18)19/h3-11,13,16,23H,2,12H2,1H3
InChIKeyKRJFHOVSWAJSKI-UHFFFAOYSA-N
MW350.40 g/mol
LogP3.62
Rot. Bonds6

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

5-(4-fluorophenyl)-N-(1-imidazol-1-ylbutan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 56897885) has the molecular formula C19H19FN6 and a molecular weight of 350.40 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-N-(1-imidazol-1-ylbutan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-(4-fluorophenyl)-N-(1-imidazol-1-ylbutan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID56897885
Molecular FormulaC19H19FN6
Molecular Weight350.40 g/mol
Exact Mass350.17
IUPAC Name5-(4-fluorophenyl)-N-(1-imidazol-1-ylbutan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCC(Cn1ccnc1)Nc1cc(-c2ccc(F)cc2)nc2ccnn12
InChIInChI=1S/C19H19FN6/c1-2-16(12-25-10-9-21-13-25)23-19-11-17(14-3-5-15(20)6-4-14)24-18-7-8-22-26(18)19/h3-11,13,16,23H,2,12H2,1H3
InChIKeyKRJFHOVSWAJSKI-UHFFFAOYSA-N
XLogP3.62
TPSA60.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(4-fluorophenyl)-N-[(1S)-1-pyridin-3-ylpropyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 95863142
5-(4-fluorophenyl)-N-[(1R)-1-pyridin-3-ylpropyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 95863143
5-(4-fluorophenyl)-N-(1-pyridin-3-ylpropyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 56918481
N-[(1S)-2-imidazol-1-yl-1-phenylethyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 95888823
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-[(4-methyl-2-pyridinyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 56885537
(2R)-N-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]-1-imidazol-1-ylpropan-2-amine
CID 95218898
5-(4-fluorophenyl)-N-[2-(1H-imidazol-2-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 56890855
5-ethyl-N-[(1S)-3-imidazol-1-yl-1-phenylpropyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 95895118
1-imidazol-1-yl-N-methylbutan-2-amine
CID 62039095
1-(5-fluoro-2-methylphenyl)-3-(1-imidazol-1-ylbutan-2-yl)urea
CID 118790076
1-(4-fluorophenyl)-N-(1-imidazol-1-ylpropan-2-yl)propan-1-amine
CID 43749780

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-N-(1-imidazol-1-ylbutan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-(4-fluorophenyl)-N-(1-imidazol-1-ylbutan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 56897885) is 5-(4-fluorophenyl)-N-(1-imidazol-1-ylbutan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-(4-fluorophenyl)-N-(1-imidazol-1-ylbutan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-(4-fluorophenyl)-N-(1-imidazol-1-ylbutan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine is CCC(Cn1ccnc1)Nc1cc(-c2ccc(F)cc2)nc2ccnn12.
What is the InChIKey of 5-(4-fluorophenyl)-N-(1-imidazol-1-ylbutan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is KRJFHOVSWAJSKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN6/c1-2-16(12-25-10-9-21-13-25)23-19-11-17(14-3-5-15(20)6-4-14)24-18-7-8-22-26(18)19/h3-11,13,16,23H,2,12H2,1H3.
What are the key properties of 5-(4-fluorophenyl)-N-(1-imidazol-1-ylbutan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
5-(4-fluorophenyl)-N-(1-imidazol-1-ylbutan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 350.40 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-N-(1-imidazol-1-ylbutan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 56897885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).