1-[(1,5-dimethylpyrazol-4-yl)methylamino]ethanol

C8H15N3O — CID 155693973

IUPAC1-[(1,5-dimethylpyrazol-4-yl)methylamino]ethanol
SMILESCc1c(CNC(C)O)cnn1C
InChIInChI=1S/C8H15N3O/c1-6-8(4-9-7(2)12)5-10-11(6)3/h5,7,9,12H,4H2,1-3H3
InChIKeyWDEVXIUIBPHGJZ-UHFFFAOYSA-N
MW169.23 g/mol
LogP0.16
Rot. Bonds3

About 1-[(1,5-dimethylpyrazol-4-yl)methylamino]ethanol

1-[(1,5-dimethylpyrazol-4-yl)methylamino]ethanol (PubChem CID 155693973) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is 1-[(1,5-dimethylpyrazol-4-yl)methylamino]ethanol.

Molecular Properties

Compound Name1-[(1,5-dimethylpyrazol-4-yl)methylamino]ethanol
PubChem CID155693973
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC Name1-[(1,5-dimethylpyrazol-4-yl)methylamino]ethanol
SMILESCc1c(CNC(C)O)cnn1C
InChIInChI=1S/C8H15N3O/c1-6-8(4-9-7(2)12)5-10-11(6)3/h5,7,9,12H,4H2,1-3H3
InChIKeyWDEVXIUIBPHGJZ-UHFFFAOYSA-N
XLogP0.16
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(2R)-N-[(1,5-dimethylpyrazol-4-yl)methyl]butan-2-amine
CID 93459109
(1R)-1-cycloheptyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]ethanamine
CID 81392354
2-[(1,5-dimethylpyrazol-4-yl)methylamino]-N-(3-methylbutyl)propanamide
CID 103859872
N-[(1,5-dimethylpyrazol-4-yl)methyl]heptan-4-amine
CID 115896746
N-[(1,5-dimethylpyrazol-4-yl)methyl]-4,4,4-trifluorobutan-2-amine
CID 115896749
2-[(1,5-dimethylpyrazol-4-yl)methylamino]-4-methylpentanoic acid
CID 79579169
N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methoxybutan-2-amine
CID 79579267
1-[(1,5-dimethylpyrazol-4-yl)methylamino]-4-methylpentan-2-ol
CID 109480929
1-cyclopropyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]propan-1-amine
CID 115896751
4-[2-[(1,5-dimethylpyrazol-4-yl)methylamino]propyl]phenol
CID 103851578
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylpropan-1-amine;hydrochloride
CID 126964678
2-[(1,5-dimethylpyrazol-4-yl)methylamino]-N,4-dimethylpentanamide
CID 79578558

Frequently Asked Questions

What is the IUPAC name of 1-[(1,5-dimethylpyrazol-4-yl)methylamino]ethanol?
The IUPAC name of 1-[(1,5-dimethylpyrazol-4-yl)methylamino]ethanol (CID 155693973) is 1-[(1,5-dimethylpyrazol-4-yl)methylamino]ethanol.
What is the SMILES notation for 1-[(1,5-dimethylpyrazol-4-yl)methylamino]ethanol?
The canonical SMILES for 1-[(1,5-dimethylpyrazol-4-yl)methylamino]ethanol is Cc1c(CNC(C)O)cnn1C.
What is the InChIKey of 1-[(1,5-dimethylpyrazol-4-yl)methylamino]ethanol?
The InChIKey is WDEVXIUIBPHGJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O/c1-6-8(4-9-7(2)12)5-10-11(6)3/h5,7,9,12H,4H2,1-3H3.
What are the key properties of 1-[(1,5-dimethylpyrazol-4-yl)methylamino]ethanol?
1-[(1,5-dimethylpyrazol-4-yl)methylamino]ethanol has a molecular weight of 169.23 g/mol, XLogP of 0.16, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1,5-dimethylpyrazol-4-yl)methylamino]ethanol is sourced from PubChem (CID 155693973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).