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

C14H18FN3O — CID 115777064

IUPAC4-fluoro-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-3-methylaniline
SMILESCOc1c(CNc2ccc(F)c(C)c2)c(C)nn1C
InChIInChI=1S/C14H18FN3O/c1-9-7-11(5-6-13(9)15)16-8-12-10(2)17-18(3)14(12)19-4/h5-7,16H,8H2,1-4H3
InChIKeyGMVHKYOZIGUFED-UHFFFAOYSA-N
MW263.32 g/mol
LogP2.80
Rot. Bonds4

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

4-fluoro-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-3-methylaniline (PubChem CID 115777064) has the molecular formula C14H18FN3O and a molecular weight of 263.32 g/mol. Its IUPAC name is 4-fluoro-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-3-methylaniline.

Molecular Properties

Compound Name4-fluoro-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-3-methylaniline
PubChem CID115777064
Molecular FormulaC14H18FN3O
Molecular Weight263.32 g/mol
Exact Mass263.14
IUPAC Name4-fluoro-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-3-methylaniline
SMILESCOc1c(CNc2ccc(F)c(C)c2)c(C)nn1C
InChIInChI=1S/C14H18FN3O/c1-9-7-11(5-6-13(9)15)16-8-12-10(2)17-18(3)14(12)19-4/h5-7,16H,8H2,1-4H3
InChIKeyGMVHKYOZIGUFED-UHFFFAOYSA-N
XLogP2.80
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dichloro-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]aniline
CID 115909528
3-chloro-4-methoxy-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]aniline
CID 115628881
N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1,3-benzodioxol-5-amine
CID 115742828
[4-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]phenyl]methanol
CID 115777892
4-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]benzonitrile
CID 86792690
N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-fluoro-3-methylaniline
CID 82686795
N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-2-methylaniline
CID 115884025
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
N-[(2,6-difluorophenyl)methyl]-4-fluoro-3-methylaniline
CID 55118977
N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-3-pyridin-2-yloxyaniline
CID 75518344
4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]aniline
CID 99608139

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-3-methylaniline?
The IUPAC name of 4-fluoro-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-3-methylaniline (CID 115777064) is 4-fluoro-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-3-methylaniline.
What is the SMILES notation for 4-fluoro-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-3-methylaniline?
The canonical SMILES for 4-fluoro-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-3-methylaniline is COc1c(CNc2ccc(F)c(C)c2)c(C)nn1C.
What is the InChIKey of 4-fluoro-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-3-methylaniline?
The InChIKey is GMVHKYOZIGUFED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O/c1-9-7-11(5-6-13(9)15)16-8-12-10(2)17-18(3)14(12)19-4/h5-7,16H,8H2,1-4H3.
What are the key properties of 4-fluoro-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-3-methylaniline?
4-fluoro-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-3-methylaniline has a molecular weight of 263.32 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-3-methylaniline is sourced from PubChem (CID 115777064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).