1-[6-methyl-3-[(1-propan-2-ylpyrazol-3-yl)methoxy]-2-pyridinyl]propan-2-amine

C16H24N4O — CID 79164689

IUPAC1-[6-methyl-3-[(1-propan-2-ylpyrazol-3-yl)methoxy]-2-pyridinyl]propan-2-amine
SMILESCc1ccc(OCc2ccn(C(C)C)n2)c(CC(C)N)n1
InChIInChI=1S/C16H24N4O/c1-11(2)20-8-7-14(19-20)10-21-16-6-5-13(4)18-15(16)9-12(3)17/h5-8,11-12H,9-10,17H2,1-4H3
InChIKeyMHXAHJHTKGEOJV-UHFFFAOYSA-N
MW288.40 g/mol
LogP2.64
Rot. Bonds6

About 1-[6-methyl-3-[(1-propan-2-ylpyrazol-3-yl)methoxy]-2-pyridinyl]propan-2-amine

1-[6-methyl-3-[(1-propan-2-ylpyrazol-3-yl)methoxy]-2-pyridinyl]propan-2-amine (PubChem CID 79164689) has the molecular formula C16H24N4O and a molecular weight of 288.40 g/mol. Its IUPAC name is 1-[6-methyl-3-[(1-propan-2-ylpyrazol-3-yl)methoxy]-2-pyridinyl]propan-2-amine.

Molecular Properties

Compound Name1-[6-methyl-3-[(1-propan-2-ylpyrazol-3-yl)methoxy]-2-pyridinyl]propan-2-amine
PubChem CID79164689
Molecular FormulaC16H24N4O
Molecular Weight288.40 g/mol
Exact Mass288.20
IUPAC Name1-[6-methyl-3-[(1-propan-2-ylpyrazol-3-yl)methoxy]-2-pyridinyl]propan-2-amine
SMILESCc1ccc(OCc2ccn(C(C)C)n2)c(CC(C)N)n1
InChIInChI=1S/C16H24N4O/c1-11(2)20-8-7-14(19-20)10-21-16-6-5-13(4)18-15(16)9-12(3)17/h5-8,11-12H,9-10,17H2,1-4H3
InChIKeyMHXAHJHTKGEOJV-UHFFFAOYSA-N
XLogP2.64
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.40
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(6-methyl-3-propoxy-2-pyridinyl)propan-2-amine
CID 79168995
1-[6-methyl-3-(thiophen-3-ylmethoxy)-2-pyridinyl]propan-2-amine
CID 79169247
1-[6-methyl-3-[(2-methyl-1,3-thiazol-5-yl)methoxy]-2-pyridinyl]propan-2-amine
CID 79169332
1-[6-methyl-3-(phenylmethoxymethoxy)-2-pyridinyl]propan-2-amine
CID 102940231
1-[6-methyl-3-(2,2,2-trifluoroethoxymethoxy)-2-pyridinyl]propan-2-amine
CID 106705649
6-methyl-3-[(1-pentan-3-ylpyrazol-3-yl)methoxy]pyridin-2-amine
CID 64801745
1-[3-[(4-bromothiophen-2-yl)methoxy]-6-methyl-2-pyridinyl]propan-2-amine
CID 79169585
1-[3-[(2,4-difluorophenyl)methoxy]-6-methyl-2-pyridinyl]propan-2-amine
CID 79164687
1-[3-[(3-fluorophenyl)methoxy]-6-methyl-2-pyridinyl]propan-2-amine
CID 79169165
1-[6-methyl-3-(3,3,3-trifluoropropoxy)-2-pyridinyl]propan-2-amine
CID 79168592
1-[4-fluoro-2-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]ethanamine
CID 64773584
3-[(2-bromo-5-fluorophenoxy)methyl]-1-propan-2-ylpyrazole
CID 81496305

Frequently Asked Questions

What is the IUPAC name of 1-[6-methyl-3-[(1-propan-2-ylpyrazol-3-yl)methoxy]-2-pyridinyl]propan-2-amine?
The IUPAC name of 1-[6-methyl-3-[(1-propan-2-ylpyrazol-3-yl)methoxy]-2-pyridinyl]propan-2-amine (CID 79164689) is 1-[6-methyl-3-[(1-propan-2-ylpyrazol-3-yl)methoxy]-2-pyridinyl]propan-2-amine.
What is the SMILES notation for 1-[6-methyl-3-[(1-propan-2-ylpyrazol-3-yl)methoxy]-2-pyridinyl]propan-2-amine?
The canonical SMILES for 1-[6-methyl-3-[(1-propan-2-ylpyrazol-3-yl)methoxy]-2-pyridinyl]propan-2-amine is Cc1ccc(OCc2ccn(C(C)C)n2)c(CC(C)N)n1.
What is the InChIKey of 1-[6-methyl-3-[(1-propan-2-ylpyrazol-3-yl)methoxy]-2-pyridinyl]propan-2-amine?
The InChIKey is MHXAHJHTKGEOJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-11(2)20-8-7-14(19-20)10-21-16-6-5-13(4)18-15(16)9-12(3)17/h5-8,11-12H,9-10,17H2,1-4H3.
What are the key properties of 1-[6-methyl-3-[(1-propan-2-ylpyrazol-3-yl)methoxy]-2-pyridinyl]propan-2-amine?
1-[6-methyl-3-[(1-propan-2-ylpyrazol-3-yl)methoxy]-2-pyridinyl]propan-2-amine has a molecular weight of 288.40 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-methyl-3-[(1-propan-2-ylpyrazol-3-yl)methoxy]-2-pyridinyl]propan-2-amine is sourced from PubChem (CID 79164689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).