1-(2,5-difluorophenyl)-4-(pyrazolo[1,5-a]pyrimidin-5-ylamino)butan-1-ol

C16H16F2N4O — CID 175424780

IUPAC1-(2,5-difluorophenyl)-4-(pyrazolo[1,5-a]pyrimidin-5-ylamino)butan-1-ol
SMILESOC(CCCNc1ccn2nccc2n1)c1cc(F)ccc1F
InChIInChI=1S/C16H16F2N4O/c17-11-3-4-13(18)12(10-11)14(23)2-1-7-19-15-6-9-22-16(21-15)5-8-20-22/h3-6,8-10,14,23H,1-2,7H2,(H,19,21)
InChIKeySDMAVRZXRZKZLW-UHFFFAOYSA-N
MW318.33 g/mol
LogP2.93
Rot. Bonds6

About 1-(2,5-difluorophenyl)-4-(pyrazolo[1,5-a]pyrimidin-5-ylamino)butan-1-ol

1-(2,5-difluorophenyl)-4-(pyrazolo[1,5-a]pyrimidin-5-ylamino)butan-1-ol (PubChem CID 175424780) has the molecular formula C16H16F2N4O and a molecular weight of 318.33 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)-4-(pyrazolo[1,5-a]pyrimidin-5-ylamino)butan-1-ol.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)-4-(pyrazolo[1,5-a]pyrimidin-5-ylamino)butan-1-ol
PubChem CID175424780
Molecular FormulaC16H16F2N4O
Molecular Weight318.33 g/mol
Exact Mass318.13
IUPAC Name1-(2,5-difluorophenyl)-4-(pyrazolo[1,5-a]pyrimidin-5-ylamino)butan-1-ol
SMILESOC(CCCNc1ccn2nccc2n1)c1cc(F)ccc1F
InChIInChI=1S/C16H16F2N4O/c17-11-3-4-13(18)12(10-11)14(23)2-1-7-19-15-6-9-22-16(21-15)5-8-20-22/h3-6,8-10,14,23H,1-2,7H2,(H,19,21)
InChIKeySDMAVRZXRZKZLW-UHFFFAOYSA-N
XLogP2.93
TPSA62.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 52.93
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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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)-4-(pyrazolo[1,5-a]pyrimidin-5-ylamino)butan-1-ol?
The IUPAC name of 1-(2,5-difluorophenyl)-4-(pyrazolo[1,5-a]pyrimidin-5-ylamino)butan-1-ol (CID 175424780) is 1-(2,5-difluorophenyl)-4-(pyrazolo[1,5-a]pyrimidin-5-ylamino)butan-1-ol.
What is the SMILES notation for 1-(2,5-difluorophenyl)-4-(pyrazolo[1,5-a]pyrimidin-5-ylamino)butan-1-ol?
The canonical SMILES for 1-(2,5-difluorophenyl)-4-(pyrazolo[1,5-a]pyrimidin-5-ylamino)butan-1-ol is OC(CCCNc1ccn2nccc2n1)c1cc(F)ccc1F.
What is the InChIKey of 1-(2,5-difluorophenyl)-4-(pyrazolo[1,5-a]pyrimidin-5-ylamino)butan-1-ol?
The InChIKey is SDMAVRZXRZKZLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N4O/c17-11-3-4-13(18)12(10-11)14(23)2-1-7-19-15-6-9-22-16(21-15)5-8-20-22/h3-6,8-10,14,23H,1-2,7H2,(H,19,21).
What are the key properties of 1-(2,5-difluorophenyl)-4-(pyrazolo[1,5-a]pyrimidin-5-ylamino)butan-1-ol?
1-(2,5-difluorophenyl)-4-(pyrazolo[1,5-a]pyrimidin-5-ylamino)butan-1-ol has a molecular weight of 318.33 g/mol, XLogP of 2.93, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)-4-(pyrazolo[1,5-a]pyrimidin-5-ylamino)butan-1-ol is sourced from PubChem (CID 175424780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).