[4-(2-fluorophenyl)piperazin-1-yl]-pyrazolo[1,5-a]pyrimidin-7-ylmethanone

C17H16FN5O — CID 110854620

IUPAC[4-(2-fluorophenyl)piperazin-1-yl]-pyrazolo[1,5-a]pyrimidin-7-ylmethanone
SMILESO=C(c1ccnc2ccnn12)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C17H16FN5O/c18-13-3-1-2-4-14(13)21-9-11-22(12-10-21)17(24)15-5-7-19-16-6-8-20-23(15)16/h1-8H,9-12H2
InChIKeyBTQOUJGVTRXNQT-UHFFFAOYSA-N
MW325.35 g/mol
LogP1.83
Rot. Bonds2

About [4-(2-fluorophenyl)piperazin-1-yl]-pyrazolo[1,5-a]pyrimidin-7-ylmethanone

[4-(2-fluorophenyl)piperazin-1-yl]-pyrazolo[1,5-a]pyrimidin-7-ylmethanone (PubChem CID 110854620) has the molecular formula C17H16FN5O and a molecular weight of 325.35 g/mol. Its IUPAC name is [4-(2-fluorophenyl)piperazin-1-yl]-pyrazolo[1,5-a]pyrimidin-7-ylmethanone.

Molecular Properties

Compound Name[4-(2-fluorophenyl)piperazin-1-yl]-pyrazolo[1,5-a]pyrimidin-7-ylmethanone
PubChem CID110854620
Molecular FormulaC17H16FN5O
Molecular Weight325.35 g/mol
Exact Mass325.13
IUPAC Name[4-(2-fluorophenyl)piperazin-1-yl]-pyrazolo[1,5-a]pyrimidin-7-ylmethanone
SMILESO=C(c1ccnc2ccnn12)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C17H16FN5O/c18-13-3-1-2-4-14(13)21-9-11-22(12-10-21)17(24)15-5-7-19-16-6-8-20-23(15)16/h1-8H,9-12H2
InChIKeyBTQOUJGVTRXNQT-UHFFFAOYSA-N
XLogP1.83
TPSA53.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.35
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(2-fluorophenyl)piperazin-1-yl]-quinolin-4-ylmethanone
CID 110694885
[4-(2-fluorophenyl)piperazin-1-yl]-(7-phenylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
CID 46074581
[4-(2-fluorophenyl)piperazin-1-yl]-(1,2-oxazol-3-yl)methanone
CID 110693755
4-[4-(2-fluorophenyl)piperazine-1-carbonyl]benzoic acid
CID 82183776
[4-(2-fluorophenyl)piperazin-1-yl]-pyridin-3-ylmethanone;hydrochloride
CID 110756069
[2-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 109302241
4-[4-[4-(2-fluorophenyl)piperazin-1-yl]pyridine-2-carbonyl]piperazine-1-carbaldehyde
CID 109208746
1,3-benzodioxol-5-yl-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 798083
[2-(cyclopentylamino)-4-pyridinyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 109166108
[2-(tert-butylamino)-4-pyridinyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 109174462
[4-(2-fluorophenyl)piperazin-1-yl]-(2-methylphenyl)methanone
CID 808454
(2-aminophenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 3648748

Frequently Asked Questions

What is the IUPAC name of [4-(2-fluorophenyl)piperazin-1-yl]-pyrazolo[1,5-a]pyrimidin-7-ylmethanone?
The IUPAC name of [4-(2-fluorophenyl)piperazin-1-yl]-pyrazolo[1,5-a]pyrimidin-7-ylmethanone (CID 110854620) is [4-(2-fluorophenyl)piperazin-1-yl]-pyrazolo[1,5-a]pyrimidin-7-ylmethanone.
What is the SMILES notation for [4-(2-fluorophenyl)piperazin-1-yl]-pyrazolo[1,5-a]pyrimidin-7-ylmethanone?
The canonical SMILES for [4-(2-fluorophenyl)piperazin-1-yl]-pyrazolo[1,5-a]pyrimidin-7-ylmethanone is O=C(c1ccnc2ccnn12)N1CCN(c2ccccc2F)CC1.
What is the InChIKey of [4-(2-fluorophenyl)piperazin-1-yl]-pyrazolo[1,5-a]pyrimidin-7-ylmethanone?
The InChIKey is BTQOUJGVTRXNQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN5O/c18-13-3-1-2-4-14(13)21-9-11-22(12-10-21)17(24)15-5-7-19-16-6-8-20-23(15)16/h1-8H,9-12H2.
What are the key properties of [4-(2-fluorophenyl)piperazin-1-yl]-pyrazolo[1,5-a]pyrimidin-7-ylmethanone?
[4-(2-fluorophenyl)piperazin-1-yl]-pyrazolo[1,5-a]pyrimidin-7-ylmethanone has a molecular weight of 325.35 g/mol, XLogP of 1.83, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-fluorophenyl)piperazin-1-yl]-pyrazolo[1,5-a]pyrimidin-7-ylmethanone is sourced from PubChem (CID 110854620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).