N-methyl-1-[2-(1-propan-2-ylpyrazol-4-yl)oxy-4-pyridinyl]methanamine

C13H18N4O — CID 116803068

IUPACN-methyl-1-[2-(1-propan-2-ylpyrazol-4-yl)oxy-4-pyridinyl]methanamine
SMILESCNCc1ccnc(Oc2cnn(C(C)C)c2)c1
InChIInChI=1S/C13H18N4O/c1-10(2)17-9-12(8-16-17)18-13-6-11(7-14-3)4-5-15-13/h4-6,8-10,14H,7H2,1-3H3
InChIKeyVSTQHJGOCQPFMM-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.37
Rot. Bonds5

About N-methyl-1-[2-(1-propan-2-ylpyrazol-4-yl)oxy-4-pyridinyl]methanamine

N-methyl-1-[2-(1-propan-2-ylpyrazol-4-yl)oxy-4-pyridinyl]methanamine (PubChem CID 116803068) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is N-methyl-1-[2-(1-propan-2-ylpyrazol-4-yl)oxy-4-pyridinyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[2-(1-propan-2-ylpyrazol-4-yl)oxy-4-pyridinyl]methanamine
PubChem CID116803068
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC NameN-methyl-1-[2-(1-propan-2-ylpyrazol-4-yl)oxy-4-pyridinyl]methanamine
SMILESCNCc1ccnc(Oc2cnn(C(C)C)c2)c1
InChIInChI=1S/C13H18N4O/c1-10(2)17-9-12(8-16-17)18-13-6-11(7-14-3)4-5-15-13/h4-6,8-10,14H,7H2,1-3H3
InChIKeyVSTQHJGOCQPFMM-UHFFFAOYSA-N
XLogP2.37
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[2-(1-propan-2-ylpyrazol-4-yl)oxy-4-pyridinyl]methyl]propan-1-amine
CID 116803088
N-[[2-(1-methylpyrazol-4-yl)oxy-4-pyridinyl]methyl]propan-2-amine
CID 116793338
N'-hydroxy-2-(1-propan-2-ylpyrazol-4-yl)oxypyridine-4-carboximidamide
CID 136932356
N-methyl-1-(2-naphthalen-2-yloxy-4-pyridinyl)methanamine
CID 62322369
1-[2-(4-chloro-3,5-dimethylphenoxy)-4-pyridinyl]-N-methylmethanamine
CID 62323652
N-methyl-1-[2-(3-methylphenoxy)-4-pyridinyl]methanamine
CID 55058261
N-[[2-(1-ethylpyrazol-4-yl)oxy-4-pyridinyl]methyl]-2-methylpropan-2-amine
CID 116802810
4-(1-propan-2-ylpyrazol-4-yl)oxy-N-propylpyrimidin-2-amine
CID 116806571
4-bromo-6-(1-propan-2-ylpyrazol-4-yl)oxypyrimidine
CID 116801148
1-[2-(3-tert-butylphenoxy)-4-pyridinyl]-N-methylmethanamine
CID 62324004
1-(2-methoxy-4-pyridinyl)-N-methylmethanamine;hydrochloride
CID 154963549
6-(1-propan-2-ylpyrazol-4-yl)oxypyridazin-3-amine
CID 116805850

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-(1-propan-2-ylpyrazol-4-yl)oxy-4-pyridinyl]methanamine?
The IUPAC name of N-methyl-1-[2-(1-propan-2-ylpyrazol-4-yl)oxy-4-pyridinyl]methanamine (CID 116803068) is N-methyl-1-[2-(1-propan-2-ylpyrazol-4-yl)oxy-4-pyridinyl]methanamine.
What is the SMILES notation for N-methyl-1-[2-(1-propan-2-ylpyrazol-4-yl)oxy-4-pyridinyl]methanamine?
The canonical SMILES for N-methyl-1-[2-(1-propan-2-ylpyrazol-4-yl)oxy-4-pyridinyl]methanamine is CNCc1ccnc(Oc2cnn(C(C)C)c2)c1.
What is the InChIKey of N-methyl-1-[2-(1-propan-2-ylpyrazol-4-yl)oxy-4-pyridinyl]methanamine?
The InChIKey is VSTQHJGOCQPFMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-10(2)17-9-12(8-16-17)18-13-6-11(7-14-3)4-5-15-13/h4-6,8-10,14H,7H2,1-3H3.
What are the key properties of N-methyl-1-[2-(1-propan-2-ylpyrazol-4-yl)oxy-4-pyridinyl]methanamine?
N-methyl-1-[2-(1-propan-2-ylpyrazol-4-yl)oxy-4-pyridinyl]methanamine has a molecular weight of 246.31 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-(1-propan-2-ylpyrazol-4-yl)oxy-4-pyridinyl]methanamine is sourced from PubChem (CID 116803068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).