N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-2-pyridin-4-ylethanamine

C14H20N4O — CID 115702817

IUPACN-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-2-pyridin-4-ylethanamine
SMILESCOc1c(CNCCc2ccncc2)c(C)nn1C
InChIInChI=1S/C14H20N4O/c1-11-13(14(19-3)18(2)17-11)10-16-9-6-12-4-7-15-8-5-12/h4-5,7-8,16H,6,9-10H2,1-3H3
InChIKeyIMFQLWBYPAPFPP-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.46
Rot. Bonds6

About N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-2-pyridin-4-ylethanamine

N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-2-pyridin-4-ylethanamine (PubChem CID 115702817) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-2-pyridin-4-ylethanamine.

Molecular Properties

Compound NameN-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-2-pyridin-4-ylethanamine
PubChem CID115702817
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC NameN-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-2-pyridin-4-ylethanamine
SMILESCOc1c(CNCCc2ccncc2)c(C)nn1C
InChIInChI=1S/C14H20N4O/c1-11-13(14(19-3)18(2)17-11)10-16-9-6-12-4-7-15-8-5-12/h4-5,7-8,16H,6,9-10H2,1-3H3
InChIKeyIMFQLWBYPAPFPP-UHFFFAOYSA-N
XLogP1.46
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.46
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

6-Amino-1-methyl-3-propyl-4-(4-pyridinyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 660117
6-Amino-1-benzyl-3-methyl-4-(pyridin-4-yl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 2872082
6-amino-1,3-dimethyl-4-pyridin-4-yl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile
CID 130227906
US11026923, Example 67
CID 155773325
N,N-dimethyl-3-[(5-pyridin-4-yl-1H-pyrazol-3-yl)oxy]propan-1-amine
CID 10658091
2-methoxy-4-(5-piperidin-4-yl-1H-pyrazol-3-yl)pyridine
CID 176376030
6-Amino-3-methyl-4-(4-pyridinyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 5128092
US11026923, Example 62
CID 155773331
US11026923, Example 69
CID 155773344
1-[(2-Methoxy-3-pyridinyl)methyl]-3-(1-pyrazol-1-ylpropan-2-yl)urea
CID 45828049
N-[(6-methoxypyridin-3-yl)methyl]-2-methyl-N-[(1-methyl-1H-pyrazol-4-yl)methyl]propan-1-amine
CID 46994141
N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-[2-(pyrazol-1-ylmethyl)phenyl]methanamine
CID 51104831

Frequently Asked Questions

What is the IUPAC name of N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-2-pyridin-4-ylethanamine?
The IUPAC name of N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-2-pyridin-4-ylethanamine (CID 115702817) is N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-2-pyridin-4-ylethanamine.
What is the SMILES notation for N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-2-pyridin-4-ylethanamine?
The canonical SMILES for N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-2-pyridin-4-ylethanamine is COc1c(CNCCc2ccncc2)c(C)nn1C.
What is the InChIKey of N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-2-pyridin-4-ylethanamine?
The InChIKey is IMFQLWBYPAPFPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-11-13(14(19-3)18(2)17-11)10-16-9-6-12-4-7-15-8-5-12/h4-5,7-8,16H,6,9-10H2,1-3H3.
What are the key properties of N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-2-pyridin-4-ylethanamine?
N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-2-pyridin-4-ylethanamine has a molecular weight of 260.34 g/mol, XLogP of 1.46, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-2-pyridin-4-ylethanamine is sourced from PubChem (CID 115702817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).