3-[[2-(4-fluorophenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]amino]propan-1-ol

C21H19FN4O — CID 3230013

IUPAC3-[[2-(4-fluorophenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]amino]propan-1-ol
SMILESOCCCNc1cc(-c2ccccc2)nc2cc(-c3ccc(F)cc3)nn12
InChIInChI=1S/C21H19FN4O/c22-17-9-7-16(8-10-17)19-14-21-24-18(15-5-2-1-3-6-15)13-20(26(21)25-19)23-11-4-12-27/h1-3,5-10,13-14,23,27H,4,11-12H2
InChIKeyGVBLUSJBGMVMJC-UHFFFAOYSA-N
MW362.41 g/mol
LogP4.00
Rot. Bonds6

About 3-[[2-(4-fluorophenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]amino]propan-1-ol

3-[[2-(4-fluorophenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]amino]propan-1-ol (PubChem CID 3230013) has the molecular formula C21H19FN4O and a molecular weight of 362.41 g/mol. Its IUPAC name is 3-[[2-(4-fluorophenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]amino]propan-1-ol.

Molecular Properties

Compound Name3-[[2-(4-fluorophenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]amino]propan-1-ol
PubChem CID3230013
Molecular FormulaC21H19FN4O
Molecular Weight362.41 g/mol
Exact Mass362.15
IUPAC Name3-[[2-(4-fluorophenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]amino]propan-1-ol
SMILESOCCCNc1cc(-c2ccccc2)nc2cc(-c3ccc(F)cc3)nn12
InChIInChI=1S/C21H19FN4O/c22-17-9-7-16(8-10-17)19-14-21-24-18(15-5-2-1-3-6-15)13-20(26(21)25-19)23-11-4-12-27/h1-3,5-10,13-14,23,27H,4,11-12H2
InChIKeyGVBLUSJBGMVMJC-UHFFFAOYSA-N
XLogP4.00
TPSA62.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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CID 44159000
CID 44159000
CID 44159001
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CID 44160207
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CID 164611330
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CID 4366552
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CID 647327
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CID 45486142
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Frequently Asked Questions

What is the IUPAC name of 3-[[2-(4-fluorophenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]amino]propan-1-ol?
The IUPAC name of 3-[[2-(4-fluorophenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]amino]propan-1-ol (CID 3230013) is 3-[[2-(4-fluorophenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]amino]propan-1-ol.
What is the SMILES notation for 3-[[2-(4-fluorophenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]amino]propan-1-ol?
The canonical SMILES for 3-[[2-(4-fluorophenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]amino]propan-1-ol is OCCCNc1cc(-c2ccccc2)nc2cc(-c3ccc(F)cc3)nn12.
What is the InChIKey of 3-[[2-(4-fluorophenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]amino]propan-1-ol?
The InChIKey is GVBLUSJBGMVMJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN4O/c22-17-9-7-16(8-10-17)19-14-21-24-18(15-5-2-1-3-6-15)13-20(26(21)25-19)23-11-4-12-27/h1-3,5-10,13-14,23,27H,4,11-12H2.
What are the key properties of 3-[[2-(4-fluorophenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]amino]propan-1-ol?
3-[[2-(4-fluorophenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]amino]propan-1-ol has a molecular weight of 362.41 g/mol, XLogP of 4.00, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(4-fluorophenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]amino]propan-1-ol is sourced from PubChem (CID 3230013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).