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

C14H19N3O — CID 115884025

IUPACN-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-2-methylaniline
SMILESCOc1c(CNc2ccccc2C)c(C)nn1C
InChIInChI=1S/C14H19N3O/c1-10-7-5-6-8-13(10)15-9-12-11(2)16-17(3)14(12)18-4/h5-8,15H,9H2,1-4H3
InChIKeyRIFIQSWNKXBWRA-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.66
Rot. Bonds4

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

N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-2-methylaniline (PubChem CID 115884025) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-2-methylaniline.

Molecular Properties

Compound NameN-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-2-methylaniline
PubChem CID115884025
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC NameN-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-2-methylaniline
SMILESCOc1c(CNc2ccccc2C)c(C)nn1C
InChIInChI=1S/C14H19N3O/c1-10-7-5-6-8-13(10)15-9-12-11(2)16-17(3)14(12)18-4/h5-8,15H,9H2,1-4H3
InChIKeyRIFIQSWNKXBWRA-UHFFFAOYSA-N
XLogP2.66
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-2-methylsulfanylaniline
CID 115884163
N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-2,6-dimethylpyridin-3-amine
CID 104624437
6-methoxy-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-2-methylpyridin-3-amine
CID 86791062
6-bromo-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-2-methylpyridin-3-amine
CID 104599966
N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]isoquinolin-5-amine
CID 115742879
4-bromo-2,3-dichloro-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]aniline
CID 107787532
2-[[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]methyl]phenol
CID 115603366
4-fluoro-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-3-methylaniline
CID 115777064
[4-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]phenyl]methanol
CID 115777892
3,5-dichloro-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]aniline
CID 115909528
4-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]benzonitrile
CID 86792690
N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-5-methyl-2-nitroaniline
CID 104705466

Frequently Asked Questions

What is the IUPAC name of N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-2-methylaniline?
The IUPAC name of N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-2-methylaniline (CID 115884025) is N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-2-methylaniline.
What is the SMILES notation for N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-2-methylaniline?
The canonical SMILES for N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-2-methylaniline is COc1c(CNc2ccccc2C)c(C)nn1C.
What is the InChIKey of N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-2-methylaniline?
The InChIKey is RIFIQSWNKXBWRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-10-7-5-6-8-13(10)15-9-12-11(2)16-17(3)14(12)18-4/h5-8,15H,9H2,1-4H3.
What are the key properties of N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-2-methylaniline?
N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-2-methylaniline has a molecular weight of 245.33 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-2-methylaniline is sourced from PubChem (CID 115884025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).