N-[[6-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]-2-pyridinyl]methyl]propan-1-amine

C16H24N4O — CID 106908679

IUPACN-[[6-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]-2-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1cccc(COc2cnn(C(C)C)c2)n1
InChIInChI=1S/C16H24N4O/c1-4-8-17-9-14-6-5-7-15(19-14)12-21-16-10-18-20(11-16)13(2)3/h5-7,10-11,13,17H,4,8-9,12H2,1-3H3
InChIKeyUXZWPCVJEIXTRT-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.94
Rot. Bonds8

About N-[[6-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]-2-pyridinyl]methyl]propan-1-amine

N-[[6-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]-2-pyridinyl]methyl]propan-1-amine (PubChem CID 106908679) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is N-[[6-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]-2-pyridinyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[6-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]-2-pyridinyl]methyl]propan-1-amine
PubChem CID106908679
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC NameN-[[6-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]-2-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1cccc(COc2cnn(C(C)C)c2)n1
InChIInChI=1S/C16H24N4O/c1-4-8-17-9-14-6-5-7-15(19-14)12-21-16-10-18-20(11-16)13(2)3/h5-7,10-11,13,17H,4,8-9,12H2,1-3H3
InChIKeyUXZWPCVJEIXTRT-UHFFFAOYSA-N
XLogP2.94
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.94
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

2-methyl-6-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]pyridine
CID 116805488
N-[[4-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]-1,3-thiazol-2-yl]methyl]propan-1-amine
CID 116803590
N-[[6-[(3,4-dichlorophenoxy)methyl]-2-pyridinyl]methyl]propan-1-amine
CID 106908243
N-[[6-(propylaminomethyl)-2-pyridinyl]methyl]propan-1-amine
CID 11501840
N-[[6-(1,1,1-trifluoropropan-2-yloxymethyl)-2-pyridinyl]methyl]propan-1-amine
CID 106908474
N-[[2-(1-propan-2-ylpyrazol-4-yl)oxy-3-pyridinyl]methyl]propan-1-amine
CID 116803075
4-phenylmethoxy-1-propan-2-ylpyrazole
CID 91900757
N-[[6-[(3-bromo-5-fluorophenoxy)methyl]-2-pyridinyl]methyl]propan-1-amine
CID 106908526
N-[(1-propan-2-ylpyrazol-4-yl)methyl]propan-1-amine
CID 61270975
N-[[6-[(2,3-dimethylphenoxy)methyl]-2-pyridinyl]methyl]propan-1-amine
CID 106907958
N-[[2-(1-propan-2-ylpyrazol-4-yl)oxy-4-pyridinyl]methyl]propan-1-amine
CID 116803088
N-[[6-(hexoxymethyl)-2-pyridinyl]methyl]propan-1-amine
CID 106907788

Frequently Asked Questions

What is the IUPAC name of N-[[6-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]-2-pyridinyl]methyl]propan-1-amine?
The IUPAC name of N-[[6-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]-2-pyridinyl]methyl]propan-1-amine (CID 106908679) is N-[[6-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]-2-pyridinyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[6-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]-2-pyridinyl]methyl]propan-1-amine?
The canonical SMILES for N-[[6-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]-2-pyridinyl]methyl]propan-1-amine is CCCNCc1cccc(COc2cnn(C(C)C)c2)n1.
What is the InChIKey of N-[[6-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]-2-pyridinyl]methyl]propan-1-amine?
The InChIKey is UXZWPCVJEIXTRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-4-8-17-9-14-6-5-7-15(19-14)12-21-16-10-18-20(11-16)13(2)3/h5-7,10-11,13,17H,4,8-9,12H2,1-3H3.
What are the key properties of N-[[6-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]-2-pyridinyl]methyl]propan-1-amine?
N-[[6-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]-2-pyridinyl]methyl]propan-1-amine has a molecular weight of 288.39 g/mol, XLogP of 2.94, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]-2-pyridinyl]methyl]propan-1-amine is sourced from PubChem (CID 106908679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).