N-[(6-methoxy-2-pyridinyl)methyl]-2-pyrazol-1-ylethanamine

C12H16N4O — CID 63984877

IUPACN-[(6-methoxy-2-pyridinyl)methyl]-2-pyrazol-1-ylethanamine
SMILESCOc1cccc(CNCCn2cccn2)n1
InChIInChI=1S/C12H16N4O/c1-17-12-5-2-4-11(15-12)10-13-7-9-16-8-3-6-14-16/h2-6,8,13H,7,9-10H2,1H3
InChIKeyMLAAOVMTSGEJJD-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.08
Rot. Bonds6

About N-[(6-methoxy-2-pyridinyl)methyl]-2-pyrazol-1-ylethanamine

N-[(6-methoxy-2-pyridinyl)methyl]-2-pyrazol-1-ylethanamine (PubChem CID 63984877) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is N-[(6-methoxy-2-pyridinyl)methyl]-2-pyrazol-1-ylethanamine.

Molecular Properties

Compound NameN-[(6-methoxy-2-pyridinyl)methyl]-2-pyrazol-1-ylethanamine
PubChem CID63984877
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC NameN-[(6-methoxy-2-pyridinyl)methyl]-2-pyrazol-1-ylethanamine
SMILESCOc1cccc(CNCCn2cccn2)n1
InChIInChI=1S/C12H16N4O/c1-17-12-5-2-4-11(15-12)10-13-7-9-16-8-3-6-14-16/h2-6,8,13H,7,9-10H2,1H3
InChIKeyMLAAOVMTSGEJJD-UHFFFAOYSA-N
XLogP1.08
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(6-methoxy-2-pyridinyl)methyl]-2-pyrrolidin-1-ylethanamine
CID 63984106
N-[(6-methoxy-2-pyridinyl)methyl]-2-(1-methylpyrazol-4-yl)ethanamine
CID 80688976
3-bromo-N-[(6-methoxy-2-pyridinyl)methyl]propan-1-amine
CID 114293547
1-ethyl-2-[(6-methoxy-2-pyridinyl)methyl]-3-(3-pyrazol-1-ylpropyl)guanidine;hydroiodide
CID 111906378
N',N'-diethyl-N-[(6-methoxy-2-pyridinyl)methyl]propane-1,3-diamine
CID 63993512
2-(4-fluorophenyl)-N-[(6-methoxy-2-pyridinyl)methyl]ethanamine
CID 63991750
6-iodo-N-[(6-methoxy-2-pyridinyl)methyl]hexan-1-amine
CID 107844830
1-ethyl-3-[(6-methoxy-2-pyridinyl)methyl]-2-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]guanidine
CID 111851038
N-[[1-[(6-methoxy-2-pyridinyl)methyl]imidazol-2-yl]methyl]propan-1-amine
CID 63984535
N-[(2,4-dimethoxyphenyl)methyl]-2-pyrazol-1-ylethanamine
CID 61070547
N-[(1-ethylcyclopropyl)methyl]-1-(6-methoxy-2-pyridinyl)methanamine
CID 103527465
2-ethoxy-6-[(2-pyrazol-1-ylethylamino)methyl]phenol
CID 61459821

Frequently Asked Questions

What is the IUPAC name of N-[(6-methoxy-2-pyridinyl)methyl]-2-pyrazol-1-ylethanamine?
The IUPAC name of N-[(6-methoxy-2-pyridinyl)methyl]-2-pyrazol-1-ylethanamine (CID 63984877) is N-[(6-methoxy-2-pyridinyl)methyl]-2-pyrazol-1-ylethanamine.
What is the SMILES notation for N-[(6-methoxy-2-pyridinyl)methyl]-2-pyrazol-1-ylethanamine?
The canonical SMILES for N-[(6-methoxy-2-pyridinyl)methyl]-2-pyrazol-1-ylethanamine is COc1cccc(CNCCn2cccn2)n1.
What is the InChIKey of N-[(6-methoxy-2-pyridinyl)methyl]-2-pyrazol-1-ylethanamine?
The InChIKey is MLAAOVMTSGEJJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-17-12-5-2-4-11(15-12)10-13-7-9-16-8-3-6-14-16/h2-6,8,13H,7,9-10H2,1H3.
What are the key properties of N-[(6-methoxy-2-pyridinyl)methyl]-2-pyrazol-1-ylethanamine?
N-[(6-methoxy-2-pyridinyl)methyl]-2-pyrazol-1-ylethanamine has a molecular weight of 232.29 g/mol, XLogP of 1.08, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methoxy-2-pyridinyl)methyl]-2-pyrazol-1-ylethanamine is sourced from PubChem (CID 63984877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).