4-fluoro-3-methoxy-N-[(1-propan-2-ylpyrazol-3-yl)methyl]aniline

C14H18FN3O — CID 114839543

IUPAC4-fluoro-3-methoxy-N-[(1-propan-2-ylpyrazol-3-yl)methyl]aniline
SMILESCOc1cc(NCc2ccn(C(C)C)n2)ccc1F
InChIInChI=1S/C14H18FN3O/c1-10(2)18-7-6-12(17-18)9-16-11-4-5-13(15)14(8-11)19-3/h4-8,10,16H,9H2,1-3H3
InChIKeyIBOWCNDDTKXOJR-UHFFFAOYSA-N
MW263.32 g/mol
LogP3.22
Rot. Bonds5

About 4-fluoro-3-methoxy-N-[(1-propan-2-ylpyrazol-3-yl)methyl]aniline

4-fluoro-3-methoxy-N-[(1-propan-2-ylpyrazol-3-yl)methyl]aniline (PubChem CID 114839543) has the molecular formula C14H18FN3O and a molecular weight of 263.32 g/mol. Its IUPAC name is 4-fluoro-3-methoxy-N-[(1-propan-2-ylpyrazol-3-yl)methyl]aniline.

Molecular Properties

Compound Name4-fluoro-3-methoxy-N-[(1-propan-2-ylpyrazol-3-yl)methyl]aniline
PubChem CID114839543
Molecular FormulaC14H18FN3O
Molecular Weight263.32 g/mol
Exact Mass263.14
IUPAC Name4-fluoro-3-methoxy-N-[(1-propan-2-ylpyrazol-3-yl)methyl]aniline
SMILESCOc1cc(NCc2ccn(C(C)C)n2)ccc1F
InChIInChI=1S/C14H18FN3O/c1-10(2)18-7-6-12(17-18)9-16-11-4-5-13(15)14(8-11)19-3/h4-8,10,16H,9H2,1-3H3
InChIKeyIBOWCNDDTKXOJR-UHFFFAOYSA-N
XLogP3.22
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-fluoro-3-methoxy-N-[(1-propan-2-ylpyrazol-3-yl)methyl]aniline 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-methoxy-5-methyl-N-[(1-propan-2-ylpyrazol-3-yl)methyl]aniline
CID 64771081
4-propan-2-yl-N-[(1-propan-2-ylpyrazol-3-yl)methyl]aniline
CID 64773415
3-bromo-4-iodo-N-[(1-propan-2-ylpyrazol-3-yl)methyl]aniline
CID 113242506
4-bromo-3-chloro-N-[(1-propan-2-ylpyrazol-3-yl)methyl]aniline
CID 103823368
4-fluoro-3-methoxy-N-[(5-methyl-2-pyridinyl)methyl]aniline
CID 114838475
3-(chloromethyl)-4-ethoxy-N-[(1-propan-2-ylpyrazol-3-yl)methyl]aniline
CID 65025092
4-fluoro-3-methoxy-N-(pyrimidin-2-ylmethyl)aniline
CID 114839278
2,3,5-trifluoro-N-[(1-propan-2-ylpyrazol-3-yl)methyl]aniline
CID 64772172
4-fluoro-3-methoxy-N-[(2,4,5-trifluorophenyl)methyl]aniline
CID 105022434
4-fluoro-3-methoxy-N-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]aniline
CID 114839484
N-ethyl-4-fluoro-3-methoxyaniline;hydrochloride
CID 67609576
N'-(4-fluoro-3-methoxyphenyl)ethane-1,2-diamine
CID 114839038

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-methoxy-N-[(1-propan-2-ylpyrazol-3-yl)methyl]aniline?
The IUPAC name of 4-fluoro-3-methoxy-N-[(1-propan-2-ylpyrazol-3-yl)methyl]aniline (CID 114839543) is 4-fluoro-3-methoxy-N-[(1-propan-2-ylpyrazol-3-yl)methyl]aniline.
What is the SMILES notation for 4-fluoro-3-methoxy-N-[(1-propan-2-ylpyrazol-3-yl)methyl]aniline?
The canonical SMILES for 4-fluoro-3-methoxy-N-[(1-propan-2-ylpyrazol-3-yl)methyl]aniline is COc1cc(NCc2ccn(C(C)C)n2)ccc1F.
What is the InChIKey of 4-fluoro-3-methoxy-N-[(1-propan-2-ylpyrazol-3-yl)methyl]aniline?
The InChIKey is IBOWCNDDTKXOJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O/c1-10(2)18-7-6-12(17-18)9-16-11-4-5-13(15)14(8-11)19-3/h4-8,10,16H,9H2,1-3H3.
What are the key properties of 4-fluoro-3-methoxy-N-[(1-propan-2-ylpyrazol-3-yl)methyl]aniline?
4-fluoro-3-methoxy-N-[(1-propan-2-ylpyrazol-3-yl)methyl]aniline has a molecular weight of 263.32 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-methoxy-N-[(1-propan-2-ylpyrazol-3-yl)methyl]aniline is sourced from PubChem (CID 114839543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).