N-[(4-methoxy-2-pyridinyl)methyl]-N-methyl-1-(3-phenyl-1H-pyrazol-5-yl)ethanamine

C19H22N4O — CID 91834243

IUPACN-[(4-methoxy-2-pyridinyl)methyl]-N-methyl-1-(3-phenyl-1H-pyrazol-5-yl)ethanamine
SMILESCOc1ccnc(CN(C)C(C)c2cc(-c3ccccc3)n[nH]2)c1
InChIInChI=1S/C19H22N4O/c1-14(23(2)13-16-11-17(24-3)9-10-20-16)18-12-19(22-21-18)15-7-5-4-6-8-15/h4-12,14H,13H2,1-3H3,(H,21,22)
InChIKeyXEWMTBPUEJFHHS-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.67
Rot. Bonds6

About N-[(4-methoxy-2-pyridinyl)methyl]-N-methyl-1-(3-phenyl-1H-pyrazol-5-yl)ethanamine

N-[(4-methoxy-2-pyridinyl)methyl]-N-methyl-1-(3-phenyl-1H-pyrazol-5-yl)ethanamine (PubChem CID 91834243) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is N-[(4-methoxy-2-pyridinyl)methyl]-N-methyl-1-(3-phenyl-1H-pyrazol-5-yl)ethanamine.

Molecular Properties

Compound NameN-[(4-methoxy-2-pyridinyl)methyl]-N-methyl-1-(3-phenyl-1H-pyrazol-5-yl)ethanamine
PubChem CID91834243
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC NameN-[(4-methoxy-2-pyridinyl)methyl]-N-methyl-1-(3-phenyl-1H-pyrazol-5-yl)ethanamine
SMILESCOc1ccnc(CN(C)C(C)c2cc(-c3ccccc3)n[nH]2)c1
InChIInChI=1S/C19H22N4O/c1-14(23(2)13-16-11-17(24-3)9-10-20-16)18-12-19(22-21-18)15-7-5-4-6-8-15/h4-12,14H,13H2,1-3H3,(H,21,22)
InChIKeyXEWMTBPUEJFHHS-UHFFFAOYSA-N
XLogP3.67
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-methoxyphenyl)-N-methyl-N-[1-(3-phenyl-1H-pyrazol-5-yl)ethyl]-1H-pyrazole-5-carboxamide
CID 70770928
(1R)-N-methyl-1-(3-phenyl-1H-pyrazol-5-yl)-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]ethanamine
CID 124851771
3-[(4-methoxy-2-pyridinyl)methyl-methylamino]-N-methylbutanamide
CID 91831930
3-[[methyl-[1-(3-phenyl-1H-pyrazol-5-yl)ethyl]amino]methyl]-1-(pyridin-2-ylmethyl)-7,8-dihydro-6H-cyclopenta[g]quinolin-2-one
CID 45236819
(1S)-1-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]ethanamine
CID 82393432
1-(3-methoxyphenyl)-N-methyl-N-(pyrazin-2-ylmethyl)ethanamine
CID 71861048
3-(2-aminoethoxy)-4-methoxy-N-methyl-N-[(1S)-1-(3-phenyl-1H-pyrazol-5-yl)ethyl]benzamide
CID 126433353
3-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]butan-2-ol
CID 14568875
3-(3-methoxy-2,2-dimethylpropyl)-1-methyl-1-[(1S)-1-(3-phenyl-1H-pyrazol-5-yl)ethyl]urea
CID 125446420
1-methyl-6-[[methyl-[1-(3-phenyl-1H-pyrazol-5-yl)ethyl]amino]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 136661783
5-methoxy-N-methyl-4-oxo-N-[1-(3-phenyl-1H-pyrazol-5-yl)ethyl]-1H-pyridine-2-carboxamide
CID 74235393
N,6-dimethyl-N-[1-(3-phenyl-1H-pyrazol-5-yl)ethyl]-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 131902441

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxy-2-pyridinyl)methyl]-N-methyl-1-(3-phenyl-1H-pyrazol-5-yl)ethanamine?
The IUPAC name of N-[(4-methoxy-2-pyridinyl)methyl]-N-methyl-1-(3-phenyl-1H-pyrazol-5-yl)ethanamine (CID 91834243) is N-[(4-methoxy-2-pyridinyl)methyl]-N-methyl-1-(3-phenyl-1H-pyrazol-5-yl)ethanamine.
What is the SMILES notation for N-[(4-methoxy-2-pyridinyl)methyl]-N-methyl-1-(3-phenyl-1H-pyrazol-5-yl)ethanamine?
The canonical SMILES for N-[(4-methoxy-2-pyridinyl)methyl]-N-methyl-1-(3-phenyl-1H-pyrazol-5-yl)ethanamine is COc1ccnc(CN(C)C(C)c2cc(-c3ccccc3)n[nH]2)c1.
What is the InChIKey of N-[(4-methoxy-2-pyridinyl)methyl]-N-methyl-1-(3-phenyl-1H-pyrazol-5-yl)ethanamine?
The InChIKey is XEWMTBPUEJFHHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O/c1-14(23(2)13-16-11-17(24-3)9-10-20-16)18-12-19(22-21-18)15-7-5-4-6-8-15/h4-12,14H,13H2,1-3H3,(H,21,22).
What are the key properties of N-[(4-methoxy-2-pyridinyl)methyl]-N-methyl-1-(3-phenyl-1H-pyrazol-5-yl)ethanamine?
N-[(4-methoxy-2-pyridinyl)methyl]-N-methyl-1-(3-phenyl-1H-pyrazol-5-yl)ethanamine has a molecular weight of 322.41 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxy-2-pyridinyl)methyl]-N-methyl-1-(3-phenyl-1H-pyrazol-5-yl)ethanamine is sourced from PubChem (CID 91834243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).