1-(3,6-dimethylpyridazin-4-yl)-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-N-methylmethanamine

C15H23N5O — CID 105186805

IUPAC1-(3,6-dimethylpyridazin-4-yl)-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-N-methylmethanamine
SMILESCNC(c1cc(C)nnc1C)c1c(OC)cnn1C(C)C
InChIInChI=1S/C15H23N5O/c1-9(2)20-15(13(21-6)8-17-20)14(16-5)12-7-10(3)18-19-11(12)4/h7-9,14,16H,1-6H3
InChIKeyUQKOMDADLWKIJZ-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.19
Rot. Bonds5

About 1-(3,6-dimethylpyridazin-4-yl)-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-N-methylmethanamine

1-(3,6-dimethylpyridazin-4-yl)-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-N-methylmethanamine (PubChem CID 105186805) has the molecular formula C15H23N5O and a molecular weight of 289.38 g/mol. Its IUPAC name is 1-(3,6-dimethylpyridazin-4-yl)-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3,6-dimethylpyridazin-4-yl)-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-N-methylmethanamine
PubChem CID105186805
Molecular FormulaC15H23N5O
Molecular Weight289.38 g/mol
Exact Mass289.19
IUPAC Name1-(3,6-dimethylpyridazin-4-yl)-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-N-methylmethanamine
SMILESCNC(c1cc(C)nnc1C)c1c(OC)cnn1C(C)C
InChIInChI=1S/C15H23N5O/c1-9(2)20-15(13(21-6)8-17-20)14(16-5)12-7-10(3)18-19-11(12)4/h7-9,14,16H,1-6H3
InChIKeyUQKOMDADLWKIJZ-UHFFFAOYSA-N
XLogP2.19
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-N-methyl-1-(4-methylthiophen-3-yl)methanamine
CID 114658402
1-(2,4-dichlorophenyl)-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-N-methylmethanamine
CID 105048264
1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-N-methyl-1-pyrimidin-5-ylmethanamine
CID 102923906
1-(3-fluoro-4-pyridinyl)-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-N-methylmethanamine
CID 114659373
1-(2-bromofuran-3-yl)-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-N-methylmethanamine
CID 106858742
1-(4-ethylthiadiazol-5-yl)-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-N-methylmethanamine
CID 105186785
1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-N-methyl-1-(1-methylpyrazol-4-yl)methanamine
CID 114654399
1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine
CID 105186767
1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-N-methyl-1-pyrazin-2-ylmethanamine
CID 114648075
1-(3,5-dibromo-2-pyridinyl)-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-N-methylmethanamine
CID 114660600
1-(5-fluoro-2-pyridinyl)-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-N-methylmethanamine
CID 114657923
1-(3-chloro-4-methylthiophen-2-yl)-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-N-methylmethanamine
CID 103407509

Frequently Asked Questions

What is the IUPAC name of 1-(3,6-dimethylpyridazin-4-yl)-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-N-methylmethanamine?
The IUPAC name of 1-(3,6-dimethylpyridazin-4-yl)-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-N-methylmethanamine (CID 105186805) is 1-(3,6-dimethylpyridazin-4-yl)-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(3,6-dimethylpyridazin-4-yl)-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-N-methylmethanamine?
The canonical SMILES for 1-(3,6-dimethylpyridazin-4-yl)-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-N-methylmethanamine is CNC(c1cc(C)nnc1C)c1c(OC)cnn1C(C)C.
What is the InChIKey of 1-(3,6-dimethylpyridazin-4-yl)-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-N-methylmethanamine?
The InChIKey is UQKOMDADLWKIJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O/c1-9(2)20-15(13(21-6)8-17-20)14(16-5)12-7-10(3)18-19-11(12)4/h7-9,14,16H,1-6H3.
What are the key properties of 1-(3,6-dimethylpyridazin-4-yl)-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-N-methylmethanamine?
1-(3,6-dimethylpyridazin-4-yl)-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-N-methylmethanamine has a molecular weight of 289.38 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,6-dimethylpyridazin-4-yl)-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-N-methylmethanamine is sourced from PubChem (CID 105186805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).