1-(2-methoxyphenyl)-N-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]methanamine

C18H20N4O — CID 47610180

IUPAC1-(2-methoxyphenyl)-N-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]methanamine
SMILESCOc1ccccc1CNCc1cn(C)nc1-c1cccnc1
InChIInChI=1S/C18H20N4O/c1-22-13-16(18(21-22)15-7-5-9-19-11-15)12-20-10-14-6-3-4-8-17(14)23-2/h3-9,11,13,20H,10,12H2,1-2H3
InChIKeyRVFFJXBCMYNZCX-UHFFFAOYSA-N
MW308.39 g/mol
LogP2.78
Rot. Bonds6

About 1-(2-methoxyphenyl)-N-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]methanamine

1-(2-methoxyphenyl)-N-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]methanamine (PubChem CID 47610180) has the molecular formula C18H20N4O and a molecular weight of 308.39 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-N-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-N-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]methanamine
PubChem CID47610180
Molecular FormulaC18H20N4O
Molecular Weight308.39 g/mol
Exact Mass308.16
IUPAC Name1-(2-methoxyphenyl)-N-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]methanamine
SMILESCOc1ccccc1CNCc1cn(C)nc1-c1cccnc1
InChIInChI=1S/C18H20N4O/c1-22-13-16(18(21-22)15-7-5-9-19-11-15)12-20-10-14-6-3-4-8-17(14)23-2/h3-9,11,13,20H,10,12H2,1-2H3
InChIKeyRVFFJXBCMYNZCX-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

Analyze 1-(2-methoxyphenyl)-N-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-1-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methylamino]propan-2-ol
CID 119128606
N-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]propan-2-amine
CID 78971710
N-[(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-1-(2,3,4-trimethoxyphenyl)methanamine
CID 52672336
2-[[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methylamino]methyl]cyclopentan-1-ol
CID 111469301
2-methyl-N-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-3-pyrazol-1-ylpropan-1-amine
CID 47619081
1-(1-methyl-3-pyridin-3-ylpyrazol-4-yl)-N-[(1-piperidin-1-ylcyclohexyl)methyl]methanamine
CID 47611144
1-(3-methoxyphenyl)-N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]methanamine
CID 47611472
N-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-1-(4-propan-2-ylphenyl)ethanamine;hydrochloride
CID 47612776
6-[[(2-methoxyphenyl)methylamino]methyl]-N,N-dimethyl-2-pyridin-3-ylpyrimidin-4-amine
CID 92606982
N-[(2-methoxyphenyl)methyl]-1-pyridin-3-ylmethanamine;oxalic acid
CID 17367682
2-(5-methylfuran-2-yl)-N-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-2-pyrrolidin-1-ylethanamine
CID 119107124
1-(2-methoxyphenyl)-N-[(1-methyltriazol-4-yl)methyl]methanamine
CID 62757557

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-N-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]methanamine?
The IUPAC name of 1-(2-methoxyphenyl)-N-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]methanamine (CID 47610180) is 1-(2-methoxyphenyl)-N-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]methanamine.
What is the SMILES notation for 1-(2-methoxyphenyl)-N-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]methanamine?
The canonical SMILES for 1-(2-methoxyphenyl)-N-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]methanamine is COc1ccccc1CNCc1cn(C)nc1-c1cccnc1.
What is the InChIKey of 1-(2-methoxyphenyl)-N-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]methanamine?
The InChIKey is RVFFJXBCMYNZCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c1-22-13-16(18(21-22)15-7-5-9-19-11-15)12-20-10-14-6-3-4-8-17(14)23-2/h3-9,11,13,20H,10,12H2,1-2H3.
What are the key properties of 1-(2-methoxyphenyl)-N-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]methanamine?
1-(2-methoxyphenyl)-N-[(1-methyl-3-pyridin-3-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-(2-methoxyphenyl)-N-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]methanamine is sourced from PubChem (CID 47610180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).