[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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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).