[2-[[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]methyl]phenyl]methanol

C17H18N4O — CID 47626559

IUPAC[2-[[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]methyl]phenyl]methanol
SMILESOCc1ccccc1CNCc1cn[nH]c1-c1cccnc1
InChIInChI=1S/C17H18N4O/c22-12-15-5-2-1-4-13(15)8-19-10-16-11-20-21-17(16)14-6-3-7-18-9-14/h1-7,9,11,19,22H,8,10,12H2,(H,20,21)
InChIKeyQCUQKWUZLBBRTC-UHFFFAOYSA-N
MW294.36 g/mol
LogP2.25
Rot. Bonds6

About [2-[[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]methyl]phenyl]methanol

[2-[[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]methyl]phenyl]methanol (PubChem CID 47626559) has the molecular formula C17H18N4O and a molecular weight of 294.36 g/mol. Its IUPAC name is [2-[[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]methyl]phenyl]methanol.

Molecular Properties

Compound Name[2-[[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]methyl]phenyl]methanol
PubChem CID47626559
Molecular FormulaC17H18N4O
Molecular Weight294.36 g/mol
Exact Mass294.15
IUPAC Name[2-[[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]methyl]phenyl]methanol
SMILESOCc1ccccc1CNCc1cn[nH]c1-c1cccnc1
InChIInChI=1S/C17H18N4O/c22-12-15-5-2-1-4-13(15)8-19-10-16-11-20-21-17(16)14-6-3-7-18-9-14/h1-7,9,11,19,22H,8,10,12H2,(H,20,21)
InChIKeyQCUQKWUZLBBRTC-UHFFFAOYSA-N
XLogP2.25
TPSA73.83 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

{4-[3-(4-Fluorophenyl)-1h-Pyrazol-4-Yl]pyridin-2-Yl}methanol
CID 71710905
(R)-[(4aR,5S)-1-(4-Fluoro-phenyl)-4a-methyl-4,4a,5,6,7,8-hexahydro-1H-benzo[f]indazol-5-yl]-pyridin-4-yl-methanol
CID 10452933
[4-[3-(4-Fluorophenyl)-1-methylpyrazol-4-yl]-2-pyridinyl]methanol
CID 73293373
(3-(pyridin-4-yl)-1H-pyrazol-5-yl)methanol
CID 29922283
(1-Phenyl-3-pyridin-3-yl-1H-pyrazol-4-yl)-methanol
CID 740179
[2-[5-(1-ethylpyrazol-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-3-yl]-4-pyridinyl]methanol
CID 123133208
(E)-N-[3-(hydroxymethyl)phenyl]-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-enamide
CID 9300823
2-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl-(pyridin-2-ylmethyl)amino]butan-1-ol
CID 46984628
2-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl-(pyridin-4-ylmethyl)amino]butan-1-ol
CID 46996630
2-[4-[(1-Methyl-3-pyridin-4-ylpyrazol-4-yl)methylamino]phenyl]ethanol
CID 71922317
3-(ethoxymethyl)-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]aniline
CID 75385325
[4-(3-butyl-2H-pyrazolo[4,3-c]pyridin-4-yl)phenyl]methanol
CID 132458293

Frequently Asked Questions

What is the IUPAC name of [2-[[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]methyl]phenyl]methanol?
The IUPAC name of [2-[[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]methyl]phenyl]methanol (CID 47626559) is [2-[[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]methyl]phenyl]methanol.
What is the SMILES notation for [2-[[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]methyl]phenyl]methanol?
The canonical SMILES for [2-[[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]methyl]phenyl]methanol is OCc1ccccc1CNCc1cn[nH]c1-c1cccnc1.
What is the InChIKey of [2-[[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]methyl]phenyl]methanol?
The InChIKey is QCUQKWUZLBBRTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O/c22-12-15-5-2-1-4-13(15)8-19-10-16-11-20-21-17(16)14-6-3-7-18-9-14/h1-7,9,11,19,22H,8,10,12H2,(H,20,21).
What are the key properties of [2-[[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]methyl]phenyl]methanol?
[2-[[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]methyl]phenyl]methanol has a molecular weight of 294.36 g/mol, XLogP of 2.25, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]methyl]phenyl]methanol is sourced from PubChem (CID 47626559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).