2-[(1-benzylpyrazol-4-yl)methylamino]ethanol;hydrochloride

C13H18ClN3O — CID 54592708

IUPAC2-[(1-benzylpyrazol-4-yl)methylamino]ethanol;hydrochloride
SMILESCl.OCCNCc1cnn(Cc2ccccc2)c1
InChIInChI=1S/C13H17N3O.ClH/c17-7-6-14-8-13-9-15-16(11-13)10-12-4-2-1-3-5-12;/h1-5,9,11,14,17H,6-8,10H2;1H
InChIKeyGNYLWAMIZHGTSS-UHFFFAOYSA-N
MW267.76 g/mol
LogP1.44
Rot. Bonds6

About 2-[(1-benzylpyrazol-4-yl)methylamino]ethanol;hydrochloride

2-[(1-benzylpyrazol-4-yl)methylamino]ethanol;hydrochloride (PubChem CID 54592708) has the molecular formula C13H18ClN3O and a molecular weight of 267.76 g/mol. Its IUPAC name is 2-[(1-benzylpyrazol-4-yl)methylamino]ethanol;hydrochloride.

Molecular Properties

Compound Name2-[(1-benzylpyrazol-4-yl)methylamino]ethanol;hydrochloride
PubChem CID54592708
Molecular FormulaC13H18ClN3O
Molecular Weight267.76 g/mol
Exact Mass267.11
IUPAC Name2-[(1-benzylpyrazol-4-yl)methylamino]ethanol;hydrochloride
SMILESCl.OCCNCc1cnn(Cc2ccccc2)c1
InChIInChI=1S/C13H17N3O.ClH/c17-7-6-14-8-13-9-15-16(11-13)10-12-4-2-1-3-5-12;/h1-5,9,11,14,17H,6-8,10H2;1H
InChIKeyGNYLWAMIZHGTSS-UHFFFAOYSA-N
XLogP1.44
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 51.44
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-benzylpyrazol-4-yl)methyl]ethane-1,2-diamine
CID 60888359
N'-[(1-benzylpyrazol-4-yl)methyl]propane-1,3-diamine
CID 55025337
4-[(1-benzylpyrazol-4-yl)methylamino]butanoic acid
CID 60782827
3-[(1-benzylpyrazol-4-yl)methylamino]-2,2-difluoropropan-1-ol
CID 104857456
4-[(1-benzylpyrazol-4-yl)methylamino]-3,3-dimethylbutan-1-ol
CID 103708206
2-[4-[(2-phenylethylamino)methyl]pyrazol-1-yl]ethanol
CID 64830530
N-[(1-benzylpyrazol-4-yl)methyl]-4,4,4-trifluorobutan-1-amine
CID 79037268
(1-benzylpyrazol-4-yl)methylhydrazine
CID 130820345
N-[(1-benzylpyrazol-4-yl)methyl]aniline
CID 43503098
N-[3-[(1-benzylpyrazol-4-yl)methylamino]propyl]methanesulfonamide
CID 86776302
N-[(1-benzylpyrazol-4-yl)methyl]-3-propan-2-yloxypropan-1-amine
CID 43392652
4-[[(1-benzylpyrazol-4-yl)methylamino]methyl]benzamide
CID 86809283

Frequently Asked Questions

What is the IUPAC name of 2-[(1-benzylpyrazol-4-yl)methylamino]ethanol;hydrochloride?
The IUPAC name of 2-[(1-benzylpyrazol-4-yl)methylamino]ethanol;hydrochloride (CID 54592708) is 2-[(1-benzylpyrazol-4-yl)methylamino]ethanol;hydrochloride.
What is the SMILES notation for 2-[(1-benzylpyrazol-4-yl)methylamino]ethanol;hydrochloride?
The canonical SMILES for 2-[(1-benzylpyrazol-4-yl)methylamino]ethanol;hydrochloride is Cl.OCCNCc1cnn(Cc2ccccc2)c1.
What is the InChIKey of 2-[(1-benzylpyrazol-4-yl)methylamino]ethanol;hydrochloride?
The InChIKey is GNYLWAMIZHGTSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O.ClH/c17-7-6-14-8-13-9-15-16(11-13)10-12-4-2-1-3-5-12;/h1-5,9,11,14,17H,6-8,10H2;1H.
What are the key properties of 2-[(1-benzylpyrazol-4-yl)methylamino]ethanol;hydrochloride?
2-[(1-benzylpyrazol-4-yl)methylamino]ethanol;hydrochloride has a molecular weight of 267.76 g/mol, XLogP of 1.44, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-benzylpyrazol-4-yl)methylamino]ethanol;hydrochloride is sourced from PubChem (CID 54592708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).