1-(3-methoxyphenyl)-N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]methanamine

C18H20N4O — CID 47611472

IUPAC1-(3-methoxyphenyl)-N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]methanamine
SMILESCOc1cccc(CNCc2cn(C)nc2-c2ccncc2)c1
InChIInChI=1S/C18H20N4O/c1-22-13-16(18(21-22)15-6-8-19-9-7-15)12-20-11-14-4-3-5-17(10-14)23-2/h3-10,13,20H,11-12H2,1-2H3
InChIKeyFUGGXZCIACMNAM-UHFFFAOYSA-N
MW308.39 g/mol
LogP2.78
Rot. Bonds6

About 1-(3-methoxyphenyl)-N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]methanamine

1-(3-methoxyphenyl)-N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]methanamine (PubChem CID 47611472) has the molecular formula C18H20N4O and a molecular weight of 308.39 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]methanamine
PubChem CID47611472
Molecular FormulaC18H20N4O
Molecular Weight308.39 g/mol
Exact Mass308.16
IUPAC Name1-(3-methoxyphenyl)-N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]methanamine
SMILESCOc1cccc(CNCc2cn(C)nc2-c2ccncc2)c1
InChIInChI=1S/C18H20N4O/c1-22-13-16(18(21-22)15-6-8-19-9-7-15)12-20-11-14-4-3-5-17(10-14)23-2/h3-10,13,20H,11-12H2,1-2H3
InChIKeyFUGGXZCIACMNAM-UHFFFAOYSA-N
XLogP2.78
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(3-methoxyphenyl)methanamine
CID 19618925
1-[3-(imidazol-1-ylmethyl)phenyl]-N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]methanamine
CID 47615231
N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]propan-1-amine
CID 78971667
1-(3-methoxyphenyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]methanamine
CID 103884458
N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]-1-(6-pyrazol-1-yl-3-pyridinyl)methanamine
CID 47614231
1-(2-methoxyphenyl)-N-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]methanamine
CID 47610180
N-methyl-4-[[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methylamino]methyl]-N-propan-2-ylbenzamide
CID 47613149
1-(3-methoxyphenyl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]methanamine
CID 62473866
1-(3-methoxyphenyl)-N-(pyrimidin-5-ylmethyl)methanamine
CID 62760836
2-imidazol-1-yl-N-[(3-methoxyphenyl)methyl]ethanamine
CID 60657937
N,N-dimethyl-1-[[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methylamino]methyl]cyclopentan-1-amine
CID 47611796
N-[(2,3-dichlorophenyl)methyl]-1-(3-methoxyphenyl)methanamine
CID 60663542

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]methanamine?
The IUPAC name of 1-(3-methoxyphenyl)-N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]methanamine (CID 47611472) is 1-(3-methoxyphenyl)-N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]methanamine.
What is the SMILES notation for 1-(3-methoxyphenyl)-N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]methanamine?
The canonical SMILES for 1-(3-methoxyphenyl)-N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]methanamine is COc1cccc(CNCc2cn(C)nc2-c2ccncc2)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]methanamine?
The InChIKey is FUGGXZCIACMNAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c1-22-13-16(18(21-22)15-6-8-19-9-7-15)12-20-11-14-4-3-5-17(10-14)23-2/h3-10,13,20H,11-12H2,1-2H3.
What are the key properties of 1-(3-methoxyphenyl)-N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]methanamine?
1-(3-methoxyphenyl)-N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]methanamine has a molecular weight of 308.39 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]methanamine is sourced from PubChem (CID 47611472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).