2-[4-[(2-phenylethylamino)methyl]pyrazol-1-yl]ethanol

C14H19N3O — CID 64830530

IUPAC2-[4-[(2-phenylethylamino)methyl]pyrazol-1-yl]ethanol
SMILESOCCn1cc(CNCCc2ccccc2)cn1
InChIInChI=1S/C14H19N3O/c18-9-8-17-12-14(11-16-17)10-15-7-6-13-4-2-1-3-5-13/h1-5,11-12,15,18H,6-10H2
InChIKeyMGBVPNOHFOWSMR-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.21
Rot. Bonds7

About 2-[4-[(2-phenylethylamino)methyl]pyrazol-1-yl]ethanol

2-[4-[(2-phenylethylamino)methyl]pyrazol-1-yl]ethanol (PubChem CID 64830530) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 2-[4-[(2-phenylethylamino)methyl]pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[(2-phenylethylamino)methyl]pyrazol-1-yl]ethanol
PubChem CID64830530
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name2-[4-[(2-phenylethylamino)methyl]pyrazol-1-yl]ethanol
SMILESOCCn1cc(CNCCc2ccccc2)cn1
InChIInChI=1S/C14H19N3O/c18-9-8-17-12-14(11-16-17)10-15-7-6-13-4-2-1-3-5-13/h1-5,11-12,15,18H,6-10H2
InChIKeyMGBVPNOHFOWSMR-UHFFFAOYSA-N
XLogP1.21
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]-2-phenylethanamine
CID 122168597
2-phenyl-N-[(1-propylpyrazol-4-yl)methyl]ethanamine;hydrochloride
CID 126966390
2-[4-[[2-(2-fluorophenyl)ethylamino]methyl]pyrazol-1-yl]ethanol
CID 64831314
2-[4-[[2-(2-methoxyphenyl)ethylamino]methyl]pyrazol-1-yl]ethanol
CID 106259621
2-[4-[[2-(1H-indol-3-yl)ethylamino]methyl]pyrazol-1-yl]ethanol
CID 64828771
2-[(1-benzylpyrazol-4-yl)methylamino]ethanol;hydrochloride
CID 54592708
2-[4-[[(2-chlorophenyl)methylamino]methyl]pyrazol-1-yl]ethanol
CID 64829934
N-[(1-methylpyrazol-4-yl)methyl]-2-phenylethanamine;hydrochloride
CID 126966836
N-[[1-(3-phenylpropyl)pyrazol-4-yl]methyl]ethanamine
CID 55134665
(2S)-2-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]-3-phenylpropan-1-ol
CID 107862327
2-[4-[(3-pyrazol-1-ylpropylamino)methyl]pyrazol-1-yl]ethanol
CID 113412472
2-methoxy-N-[[1-(4-phenylbutyl)pyrazol-4-yl]methyl]ethanamine
CID 114334601

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-phenylethylamino)methyl]pyrazol-1-yl]ethanol?
The IUPAC name of 2-[4-[(2-phenylethylamino)methyl]pyrazol-1-yl]ethanol (CID 64830530) is 2-[4-[(2-phenylethylamino)methyl]pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-[(2-phenylethylamino)methyl]pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[4-[(2-phenylethylamino)methyl]pyrazol-1-yl]ethanol is OCCn1cc(CNCCc2ccccc2)cn1.
What is the InChIKey of 2-[4-[(2-phenylethylamino)methyl]pyrazol-1-yl]ethanol?
The InChIKey is MGBVPNOHFOWSMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c18-9-8-17-12-14(11-16-17)10-15-7-6-13-4-2-1-3-5-13/h1-5,11-12,15,18H,6-10H2.
What are the key properties of 2-[4-[(2-phenylethylamino)methyl]pyrazol-1-yl]ethanol?
2-[4-[(2-phenylethylamino)methyl]pyrazol-1-yl]ethanol has a molecular weight of 245.33 g/mol, XLogP of 1.21, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-phenylethylamino)methyl]pyrazol-1-yl]ethanol is sourced from PubChem (CID 64830530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).