6-[[2-(4-methylpyrazol-1-yl)ethylamino]methyl]pyridin-3-ol

C12H16N4O — CID 113384054

IUPAC6-[[2-(4-methylpyrazol-1-yl)ethylamino]methyl]pyridin-3-ol
SMILESCc1cnn(CCNCc2ccc(O)cn2)c1
InChIInChI=1S/C12H16N4O/c1-10-6-15-16(9-10)5-4-13-7-11-2-3-12(17)8-14-11/h2-3,6,8-9,13,17H,4-5,7H2,1H3
InChIKeyXXLPTVHHVOEISD-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.08
Rot. Bonds5

About 6-[[2-(4-methylpyrazol-1-yl)ethylamino]methyl]pyridin-3-ol

6-[[2-(4-methylpyrazol-1-yl)ethylamino]methyl]pyridin-3-ol (PubChem CID 113384054) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 6-[[2-(4-methylpyrazol-1-yl)ethylamino]methyl]pyridin-3-ol.

Molecular Properties

Compound Name6-[[2-(4-methylpyrazol-1-yl)ethylamino]methyl]pyridin-3-ol
PubChem CID113384054
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name6-[[2-(4-methylpyrazol-1-yl)ethylamino]methyl]pyridin-3-ol
SMILESCc1cnn(CCNCc2ccc(O)cn2)c1
InChIInChI=1S/C12H16N4O/c1-10-6-15-16(9-10)5-4-13-7-11-2-3-12(17)8-14-11/h2-3,6,8-9,13,17H,4-5,7H2,1H3
InChIKeyXXLPTVHHVOEISD-UHFFFAOYSA-N
XLogP1.08
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.08
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

2-(4-methylpyrazol-1-yl)-N-[(2-methylpyrimidin-4-yl)methyl]ethanamine
CID 114094649
N-[(4-methylphenyl)methyl]-2-(4-methylpyrazol-1-yl)ethanamine
CID 103649741
2-(4-methylpyrazol-1-yl)-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]ethanamine
CID 103825944
N-[(4-chlorophenyl)methyl]-2-(4-methylpyrazol-1-yl)ethanamine
CID 103649533
4-[3-[2-(4-methylpyrazol-1-yl)ethylamino]butyl]phenol
CID 104861935
N-[(4-chloro-2-fluorophenyl)methyl]-2-(4-methylpyrazol-1-yl)ethanamine
CID 105352551
6-[2-(4-methylpyrazol-1-yl)ethylamino]hexan-1-ol
CID 103737929
2-(4-methylpyrazol-1-yl)-N-[(4-prop-2-enoxyphenyl)methyl]ethanamine
CID 56780994
2-(4-methylpyrazol-1-yl)-N-[(2-propyl-1,2,4-triazol-3-yl)methyl]ethanamine
CID 107302391
N-(2-methoxyethyl)-2-(4-methylpyrazol-1-yl)ethanamine
CID 62565066
6-[[(2-methylpyrazol-3-yl)methylamino]methyl]pyridin-3-ol
CID 79794277
(Z)-3-chloro-2-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]prop-2-en-1-amine
CID 106438289

Frequently Asked Questions

What is the IUPAC name of 6-[[2-(4-methylpyrazol-1-yl)ethylamino]methyl]pyridin-3-ol?
The IUPAC name of 6-[[2-(4-methylpyrazol-1-yl)ethylamino]methyl]pyridin-3-ol (CID 113384054) is 6-[[2-(4-methylpyrazol-1-yl)ethylamino]methyl]pyridin-3-ol.
What is the SMILES notation for 6-[[2-(4-methylpyrazol-1-yl)ethylamino]methyl]pyridin-3-ol?
The canonical SMILES for 6-[[2-(4-methylpyrazol-1-yl)ethylamino]methyl]pyridin-3-ol is Cc1cnn(CCNCc2ccc(O)cn2)c1.
What is the InChIKey of 6-[[2-(4-methylpyrazol-1-yl)ethylamino]methyl]pyridin-3-ol?
The InChIKey is XXLPTVHHVOEISD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-10-6-15-16(9-10)5-4-13-7-11-2-3-12(17)8-14-11/h2-3,6,8-9,13,17H,4-5,7H2,1H3.
What are the key properties of 6-[[2-(4-methylpyrazol-1-yl)ethylamino]methyl]pyridin-3-ol?
6-[[2-(4-methylpyrazol-1-yl)ethylamino]methyl]pyridin-3-ol has a molecular weight of 232.29 g/mol, XLogP of 1.08, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-(4-methylpyrazol-1-yl)ethylamino]methyl]pyridin-3-ol is sourced from PubChem (CID 113384054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).