1-(2,3-dimethoxyphenyl)-N-[[5-(2-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]methanamine

C20H22FN3O3 — CID 25286903

IUPAC1-(2,3-dimethoxyphenyl)-N-[[5-(2-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]methanamine
SMILESCOc1ccc(-c2[nH]ncc2CNCc2cccc(OC)c2OC)c(F)c1
InChIInChI=1S/C20H22FN3O3/c1-25-15-7-8-16(17(21)9-15)19-14(12-23-24-19)11-22-10-13-5-4-6-18(26-2)20(13)27-3/h4-9,12,22H,10-11H2,1-3H3,(H,23,24)
InChIKeyHHZCCLBDQDZTJJ-UHFFFAOYSA-N
MW371.41 g/mol
LogP3.53
Rot. Bonds8

About 1-(2,3-dimethoxyphenyl)-N-[[5-(2-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]methanamine

1-(2,3-dimethoxyphenyl)-N-[[5-(2-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]methanamine (PubChem CID 25286903) has the molecular formula C20H22FN3O3 and a molecular weight of 371.41 g/mol. Its IUPAC name is 1-(2,3-dimethoxyphenyl)-N-[[5-(2-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]methanamine.

Molecular Properties

Compound Name1-(2,3-dimethoxyphenyl)-N-[[5-(2-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]methanamine
PubChem CID25286903
Molecular FormulaC20H22FN3O3
Molecular Weight371.41 g/mol
Exact Mass371.16
IUPAC Name1-(2,3-dimethoxyphenyl)-N-[[5-(2-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]methanamine
SMILESCOc1ccc(-c2[nH]ncc2CNCc2cccc(OC)c2OC)c(F)c1
InChIInChI=1S/C20H22FN3O3/c1-25-15-7-8-16(17(21)9-15)19-14(12-23-24-19)11-22-10-13-5-4-6-18(26-2)20(13)27-3/h4-9,12,22H,10-11H2,1-3H3,(H,23,24)
InChIKeyHHZCCLBDQDZTJJ-UHFFFAOYSA-N
XLogP3.53
TPSA68.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.41
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,3-dimethoxyphenyl)-N-[(2,5-dimethoxyphenyl)methyl]methanamine
CID 23882259
N-[[5-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine
CID 79485640
N-[(2,4-difluorophenyl)methyl]-1-(2,3-dimethoxyphenyl)methanamine
CID 60957867
N-[(2,6-difluorophenyl)methyl]-1-(2,3-dimethoxyphenyl)methanamine
CID 738592
N-[[5-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]propan-2-amine
CID 79485412
N-[[5-(2-methoxyphenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine
CID 79485564
N-[[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine
CID 47271559
1-[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]-N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]methanamine
CID 29151930
1-(furan-2-yl)-N-[[5-(2-methoxyphenyl)-1H-pyrazol-4-yl]methyl]methanamine
CID 126456916
N-[(2,3-dimethoxyphenyl)methyl]-1-phenylmethanamine
CID 769797
N'-[(2,3-dimethoxyphenyl)methyl]ethane-1,2-diamine
CID 60888346
2-[5-(2,5-dimethoxyphenyl)-1H-pyrazol-4-yl]acetic acid
CID 82302593

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethoxyphenyl)-N-[[5-(2-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]methanamine?
The IUPAC name of 1-(2,3-dimethoxyphenyl)-N-[[5-(2-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]methanamine (CID 25286903) is 1-(2,3-dimethoxyphenyl)-N-[[5-(2-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]methanamine.
What is the SMILES notation for 1-(2,3-dimethoxyphenyl)-N-[[5-(2-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]methanamine?
The canonical SMILES for 1-(2,3-dimethoxyphenyl)-N-[[5-(2-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]methanamine is COc1ccc(-c2[nH]ncc2CNCc2cccc(OC)c2OC)c(F)c1.
What is the InChIKey of 1-(2,3-dimethoxyphenyl)-N-[[5-(2-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]methanamine?
The InChIKey is HHZCCLBDQDZTJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O3/c1-25-15-7-8-16(17(21)9-15)19-14(12-23-24-19)11-22-10-13-5-4-6-18(26-2)20(13)27-3/h4-9,12,22H,10-11H2,1-3H3,(H,23,24).
What are the key properties of 1-(2,3-dimethoxyphenyl)-N-[[5-(2-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]methanamine?
1-(2,3-dimethoxyphenyl)-N-[[5-(2-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]methanamine has a molecular weight of 371.41 g/mol, XLogP of 3.53, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethoxyphenyl)-N-[[5-(2-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]methanamine is sourced from PubChem (CID 25286903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).