(2-fluoro-4-methoxyphenyl)-(1H-pyrazol-4-yl)methanamine

C11H12FN3O — CID 82237946

IUPAC(2-fluoro-4-methoxyphenyl)-(1H-pyrazol-4-yl)methanamine
SMILESCOc1ccc(C(N)c2cn[nH]c2)c(F)c1
InChIInChI=1S/C11H12FN3O/c1-16-8-2-3-9(10(12)4-8)11(13)7-5-14-15-6-7/h2-6,11H,13H2,1H3,(H,14,15)
InChIKeyTVYDUZNTODXUAU-UHFFFAOYSA-N
MW221.24 g/mol
LogP1.61
Rot. Bonds3

About (2-fluoro-4-methoxyphenyl)-(1H-pyrazol-4-yl)methanamine

(2-fluoro-4-methoxyphenyl)-(1H-pyrazol-4-yl)methanamine (PubChem CID 82237946) has the molecular formula C11H12FN3O and a molecular weight of 221.24 g/mol. Its IUPAC name is (2-fluoro-4-methoxyphenyl)-(1H-pyrazol-4-yl)methanamine.

Molecular Properties

Compound Name(2-fluoro-4-methoxyphenyl)-(1H-pyrazol-4-yl)methanamine
PubChem CID82237946
Molecular FormulaC11H12FN3O
Molecular Weight221.24 g/mol
Exact Mass221.10
IUPAC Name(2-fluoro-4-methoxyphenyl)-(1H-pyrazol-4-yl)methanamine
SMILESCOc1ccc(C(N)c2cn[nH]c2)c(F)c1
InChIInChI=1S/C11H12FN3O/c1-16-8-2-3-9(10(12)4-8)11(13)7-5-14-15-6-7/h2-6,11H,13H2,1H3,(H,14,15)
InChIKeyTVYDUZNTODXUAU-UHFFFAOYSA-N
XLogP1.61
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.24
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2-fluoro-4-methoxyphenyl)-(1H-pyrazol-4-yl)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-fluoro-4-methoxyphenyl)-phenylmethanamine
CID 43561220
(4-fluoro-3,5-dimethylphenyl)-(2-fluoro-4-methoxyphenyl)methanamine
CID 102882911
(4-bromophenyl)-(2-fluoro-4-methoxyphenyl)methanamine
CID 43561243
5-[amino-(2-fluoro-4-methoxyphenyl)methyl]-1,3-dihydrobenzimidazol-2-one
CID 102882549
(S)-(2-fluoro-4-methoxyphenyl)-[4-(trifluoromethoxy)phenyl]methanamine
CID 171239584
(2-fluoro-4-methoxyphenyl)-[4-(trifluoromethyl)phenyl]methanamine
CID 43561305
(2-fluoro-4-methoxyphenyl)-pyrimidin-2-ylmethanamine
CID 103395513
(2,4-dimethylphenyl)-(2-fluoro-4-methoxyphenyl)methanamine
CID 43561246
(3-bromo-4-methoxyphenyl)-(2-fluoro-4-methoxyphenyl)methanamine
CID 61032943
(2,5-difluoro-4-methylphenyl)-(2-fluoro-4-methoxyphenyl)methanamine
CID 102882947
(1R)-2,2-difluoro-1-(2-fluoro-4-methoxyphenyl)ethanamine
CID 130665860
(2-fluoro-4-methoxyphenyl)-(6-methoxypyridazin-3-yl)methanamine
CID 103395933

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-4-methoxyphenyl)-(1H-pyrazol-4-yl)methanamine?
The IUPAC name of (2-fluoro-4-methoxyphenyl)-(1H-pyrazol-4-yl)methanamine (CID 82237946) is (2-fluoro-4-methoxyphenyl)-(1H-pyrazol-4-yl)methanamine.
What is the SMILES notation for (2-fluoro-4-methoxyphenyl)-(1H-pyrazol-4-yl)methanamine?
The canonical SMILES for (2-fluoro-4-methoxyphenyl)-(1H-pyrazol-4-yl)methanamine is COc1ccc(C(N)c2cn[nH]c2)c(F)c1.
What is the InChIKey of (2-fluoro-4-methoxyphenyl)-(1H-pyrazol-4-yl)methanamine?
The InChIKey is TVYDUZNTODXUAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3O/c1-16-8-2-3-9(10(12)4-8)11(13)7-5-14-15-6-7/h2-6,11H,13H2,1H3,(H,14,15).
What are the key properties of (2-fluoro-4-methoxyphenyl)-(1H-pyrazol-4-yl)methanamine?
(2-fluoro-4-methoxyphenyl)-(1H-pyrazol-4-yl)methanamine has a molecular weight of 221.24 g/mol, XLogP of 1.61, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-4-methoxyphenyl)-(1H-pyrazol-4-yl)methanamine is sourced from PubChem (CID 82237946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).