[3-[(3-phenyl-1H-pyrazol-5-yl)methylamino]-4-pyridinyl]methanol

C16H16N4O — CID 75436061

IUPAC[3-[(3-phenyl-1H-pyrazol-5-yl)methylamino]-4-pyridinyl]methanol
SMILESOCc1ccncc1NCc1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C16H16N4O/c21-11-13-6-7-17-10-16(13)18-9-14-8-15(20-19-14)12-4-2-1-3-5-12/h1-8,10,18,21H,9,11H2,(H,19,20)
InChIKeyAZVLGRRAJFIQET-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.58
Rot. Bonds5

About [3-[(3-phenyl-1H-pyrazol-5-yl)methylamino]-4-pyridinyl]methanol

[3-[(3-phenyl-1H-pyrazol-5-yl)methylamino]-4-pyridinyl]methanol (PubChem CID 75436061) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is [3-[(3-phenyl-1H-pyrazol-5-yl)methylamino]-4-pyridinyl]methanol.

Molecular Properties

Compound Name[3-[(3-phenyl-1H-pyrazol-5-yl)methylamino]-4-pyridinyl]methanol
PubChem CID75436061
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC Name[3-[(3-phenyl-1H-pyrazol-5-yl)methylamino]-4-pyridinyl]methanol
SMILESOCc1ccncc1NCc1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C16H16N4O/c21-11-13-6-7-17-10-16(13)18-9-14-8-15(20-19-14)12-4-2-1-3-5-12/h1-8,10,18,21H,9,11H2,(H,19,20)
InChIKeyAZVLGRRAJFIQET-UHFFFAOYSA-N
XLogP2.58
TPSA73.83 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-[(3-phenyl-1H-pyrazol-5-yl)methylamino]-4-pyridinyl]methanol?
The IUPAC name of [3-[(3-phenyl-1H-pyrazol-5-yl)methylamino]-4-pyridinyl]methanol (CID 75436061) is [3-[(3-phenyl-1H-pyrazol-5-yl)methylamino]-4-pyridinyl]methanol.
What is the SMILES notation for [3-[(3-phenyl-1H-pyrazol-5-yl)methylamino]-4-pyridinyl]methanol?
The canonical SMILES for [3-[(3-phenyl-1H-pyrazol-5-yl)methylamino]-4-pyridinyl]methanol is OCc1ccncc1NCc1cc(-c2ccccc2)n[nH]1.
What is the InChIKey of [3-[(3-phenyl-1H-pyrazol-5-yl)methylamino]-4-pyridinyl]methanol?
The InChIKey is AZVLGRRAJFIQET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c21-11-13-6-7-17-10-16(13)18-9-14-8-15(20-19-14)12-4-2-1-3-5-12/h1-8,10,18,21H,9,11H2,(H,19,20).
What are the key properties of [3-[(3-phenyl-1H-pyrazol-5-yl)methylamino]-4-pyridinyl]methanol?
[3-[(3-phenyl-1H-pyrazol-5-yl)methylamino]-4-pyridinyl]methanol has a molecular weight of 280.33 g/mol, XLogP of 2.58, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(3-phenyl-1H-pyrazol-5-yl)methylamino]-4-pyridinyl]methanol is sourced from PubChem (CID 75436061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).