N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-3-pyridin-2-yloxyaniline

C18H20N4O2 — CID 75518344

IUPACN-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-3-pyridin-2-yloxyaniline
SMILESCOc1c(CNc2cccc(Oc3ccccn3)c2)c(C)nn1C
InChIInChI=1S/C18H20N4O2/c1-13-16(18(23-3)22(2)21-13)12-20-14-7-6-8-15(11-14)24-17-9-4-5-10-19-17/h4-11,20H,12H2,1-3H3
InChIKeyLKVYJCJJAJAGOI-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.54
Rot. Bonds6

About N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-3-pyridin-2-yloxyaniline

N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-3-pyridin-2-yloxyaniline (PubChem CID 75518344) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-3-pyridin-2-yloxyaniline.

Molecular Properties

Compound NameN-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-3-pyridin-2-yloxyaniline
PubChem CID75518344
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC NameN-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-3-pyridin-2-yloxyaniline
SMILESCOc1c(CNc2cccc(Oc3ccccn3)c2)c(C)nn1C
InChIInChI=1S/C18H20N4O2/c1-13-16(18(23-3)22(2)21-13)12-20-14-7-6-8-15(11-14)24-17-9-4-5-10-19-17/h4-11,20H,12H2,1-3H3
InChIKeyLKVYJCJJAJAGOI-UHFFFAOYSA-N
XLogP3.54
TPSA61.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-3-pyridin-2-yloxyaniline 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

N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(2-phenoxy-4-pyridinyl)methanamine
CID 51104998
N-(pyridin-2-ylmethyl)-3-pyridin-2-yloxyaniline
CID 75518345
4-fluoro-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-3-methylaniline
CID 115777064
3-(2-methoxyethoxy)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]aniline
CID 60935772
3-chloro-4-methoxy-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]aniline
CID 115628881
3,5-dichloro-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]aniline
CID 115909528
N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-2-methylaniline
CID 115884025
N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1,3-benzodioxol-5-amine
CID 115742828
N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-2-methylsulfanylaniline
CID 115884163
[4-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]phenyl]methanol
CID 115777892
N-[(1,3-dimethyl-5-pyridin-3-yloxypyrazol-4-yl)methyl]pyrimidin-2-amine
CID 86804406
4-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]benzonitrile
CID 86792690

Frequently Asked Questions

What is the IUPAC name of N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-3-pyridin-2-yloxyaniline?
The IUPAC name of N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-3-pyridin-2-yloxyaniline (CID 75518344) is N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-3-pyridin-2-yloxyaniline.
What is the SMILES notation for N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-3-pyridin-2-yloxyaniline?
The canonical SMILES for N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-3-pyridin-2-yloxyaniline is COc1c(CNc2cccc(Oc3ccccn3)c2)c(C)nn1C.
What is the InChIKey of N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-3-pyridin-2-yloxyaniline?
The InChIKey is LKVYJCJJAJAGOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-13-16(18(23-3)22(2)21-13)12-20-14-7-6-8-15(11-14)24-17-9-4-5-10-19-17/h4-11,20H,12H2,1-3H3.
What are the key properties of N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-3-pyridin-2-yloxyaniline?
N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-3-pyridin-2-yloxyaniline has a molecular weight of 324.38 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-3-pyridin-2-yloxyaniline is sourced from PubChem (CID 75518344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).