1-(1,5-dimethylpyrazol-3-yl)-1-(5-methoxy-3-pyridinyl)-N-methylmethanamine

C13H18N4O — CID 114219334

IUPAC1-(1,5-dimethylpyrazol-3-yl)-1-(5-methoxy-3-pyridinyl)-N-methylmethanamine
SMILESCNC(c1cncc(OC)c1)c1cc(C)n(C)n1
InChIInChI=1S/C13H18N4O/c1-9-5-12(16-17(9)3)13(14-2)10-6-11(18-4)8-15-7-10/h5-8,13-14H,1-4H3
InChIKeyFMIBGJZPZCIAPV-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.44
Rot. Bonds4

About 1-(1,5-dimethylpyrazol-3-yl)-1-(5-methoxy-3-pyridinyl)-N-methylmethanamine

1-(1,5-dimethylpyrazol-3-yl)-1-(5-methoxy-3-pyridinyl)-N-methylmethanamine (PubChem CID 114219334) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 1-(1,5-dimethylpyrazol-3-yl)-1-(5-methoxy-3-pyridinyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(1,5-dimethylpyrazol-3-yl)-1-(5-methoxy-3-pyridinyl)-N-methylmethanamine
PubChem CID114219334
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name1-(1,5-dimethylpyrazol-3-yl)-1-(5-methoxy-3-pyridinyl)-N-methylmethanamine
SMILESCNC(c1cncc(OC)c1)c1cc(C)n(C)n1
InChIInChI=1S/C13H18N4O/c1-9-5-12(16-17(9)3)13(14-2)10-6-11(18-4)8-15-7-10/h5-8,13-14H,1-4H3
InChIKeyFMIBGJZPZCIAPV-UHFFFAOYSA-N
XLogP1.44
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-fluoro-3-pyridinyl)-1-(5-methoxy-3-pyridinyl)-N-methylmethanamine
CID 105175369
1-(1,5-dimethylpyrazol-3-yl)-1-(4-fluorophenyl)-N-methylmethanamine
CID 114219126
1-(2,6-dimethoxyphenyl)-1-(5-methoxy-3-pyridinyl)-N-methylmethanamine
CID 105025959
1-(2,3-dimethylphenyl)-1-(5-methoxy-3-pyridinyl)-N-methylmethanamine
CID 105025757
3-(dimethoxymethyl)-5-methoxypyridine
CID 45361740
[(5-methoxy-3-pyridinyl)-(5-methyl-3-pyridinyl)methyl]hydrazine
CID 105329816
1-(2,5-dimethoxyphenyl)-1-(5-methoxy-3-pyridinyl)-N-methylmethanamine
CID 105026152
1-(3-methoxy-4-pyridinyl)-1-(5-methoxy-3-pyridinyl)-N-methylmethanamine
CID 105065961
1-(2-bromo-5-methylphenyl)-1-(5-methoxy-3-pyridinyl)-N-methylmethanamine
CID 105025878
[(3,5-dimethoxyphenyl)-(5-methoxy-3-pyridinyl)methyl]hydrazine
CID 105329847
1-(1,5-dimethylpyrazol-4-yl)-N-methyl-1-(5-propan-2-yloxy-3-pyridinyl)methanamine
CID 105176122
1-[4-(difluoromethoxy)phenyl]-1-(5-methoxy-3-pyridinyl)-N-methylmethanamine
CID 105026047

Frequently Asked Questions

What is the IUPAC name of 1-(1,5-dimethylpyrazol-3-yl)-1-(5-methoxy-3-pyridinyl)-N-methylmethanamine?
The IUPAC name of 1-(1,5-dimethylpyrazol-3-yl)-1-(5-methoxy-3-pyridinyl)-N-methylmethanamine (CID 114219334) is 1-(1,5-dimethylpyrazol-3-yl)-1-(5-methoxy-3-pyridinyl)-N-methylmethanamine.
What is the SMILES notation for 1-(1,5-dimethylpyrazol-3-yl)-1-(5-methoxy-3-pyridinyl)-N-methylmethanamine?
The canonical SMILES for 1-(1,5-dimethylpyrazol-3-yl)-1-(5-methoxy-3-pyridinyl)-N-methylmethanamine is CNC(c1cncc(OC)c1)c1cc(C)n(C)n1.
What is the InChIKey of 1-(1,5-dimethylpyrazol-3-yl)-1-(5-methoxy-3-pyridinyl)-N-methylmethanamine?
The InChIKey is FMIBGJZPZCIAPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-9-5-12(16-17(9)3)13(14-2)10-6-11(18-4)8-15-7-10/h5-8,13-14H,1-4H3.
What are the key properties of 1-(1,5-dimethylpyrazol-3-yl)-1-(5-methoxy-3-pyridinyl)-N-methylmethanamine?
1-(1,5-dimethylpyrazol-3-yl)-1-(5-methoxy-3-pyridinyl)-N-methylmethanamine has a molecular weight of 246.31 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,5-dimethylpyrazol-3-yl)-1-(5-methoxy-3-pyridinyl)-N-methylmethanamine is sourced from PubChem (CID 114219334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).