2-[(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylamino]ethanol

C17H18N4O — CID 17445531

IUPAC2-[(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylamino]ethanol
SMILESOCCNCc1cn(-c2ccccc2)nc1-c1cccnc1
InChIInChI=1S/C17H18N4O/c22-10-9-19-12-15-13-21(16-6-2-1-3-7-16)20-17(15)14-5-4-8-18-11-14/h1-8,11,13,19,22H,9-10,12H2
InChIKeyIQEVMPZRTZNZLY-UHFFFAOYSA-N
MW294.36 g/mol
LogP2.02
Rot. Bonds6

About 2-[(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylamino]ethanol

2-[(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylamino]ethanol (PubChem CID 17445531) has the molecular formula C17H18N4O and a molecular weight of 294.36 g/mol. Its IUPAC name is 2-[(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylamino]ethanol.

Molecular Properties

Compound Name2-[(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylamino]ethanol
PubChem CID17445531
Molecular FormulaC17H18N4O
Molecular Weight294.36 g/mol
Exact Mass294.15
IUPAC Name2-[(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylamino]ethanol
SMILESOCCNCc1cn(-c2ccccc2)nc1-c1cccnc1
InChIInChI=1S/C17H18N4O/c22-10-9-19-12-15-13-21(16-6-2-1-3-7-16)20-17(15)14-5-4-8-18-11-14/h1-8,11,13,19,22H,9-10,12H2
InChIKeyIQEVMPZRTZNZLY-UHFFFAOYSA-N
XLogP2.02
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 52.02
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

3-(cyclopropylmethoxy)-N-[(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methyl]propan-1-amine
CID 119109389
2-[[3-(4-ethylphenyl)-1-phenylpyrazol-4-yl]methylamino]ethanol
CID 71688046
4-[[(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylamino]methyl]pyrrolidin-3-ol
CID 120962279
3-(1,3-diphenylpyrazol-4-yl)pyridine
CID 166447662
2-methyl-3-(2-methylimidazol-1-yl)-N-[(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methyl]propan-1-amine
CID 119122477
N-[4-[(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylamino]phenyl]propanamide
CID 154835621
3-(4-chloro-1-phenylpyrazol-3-yl)pyridine
CID 141352949
N-[(1,3-diphenylpyrazol-4-yl)methyl]-1-phenylmethanamine;hydrochloride
CID 51110159
[1-(3-chlorophenyl)-3-pyridin-3-ylpyrazol-4-yl]methanol
CID 5146729
(2R)-2-morpholin-4-yl-N-[(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-2-thiophen-2-ylethanamine
CID 30961231
1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 883433
N-[(2-fluorophenyl)methyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 8871062

Frequently Asked Questions

What is the IUPAC name of 2-[(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylamino]ethanol?
The IUPAC name of 2-[(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylamino]ethanol (CID 17445531) is 2-[(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylamino]ethanol.
What is the SMILES notation for 2-[(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylamino]ethanol?
The canonical SMILES for 2-[(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylamino]ethanol is OCCNCc1cn(-c2ccccc2)nc1-c1cccnc1.
What is the InChIKey of 2-[(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylamino]ethanol?
The InChIKey is IQEVMPZRTZNZLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O/c22-10-9-19-12-15-13-21(16-6-2-1-3-7-16)20-17(15)14-5-4-8-18-11-14/h1-8,11,13,19,22H,9-10,12H2.
What are the key properties of 2-[(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylamino]ethanol?
2-[(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylamino]ethanol has a molecular weight of 294.36 g/mol, XLogP of 2.02, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylamino]ethanol is sourced from PubChem (CID 17445531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).