[3,4-dimethoxy-5-(5-pyridin-3-yl-1H-pyrazol-4-yl)phenyl]methanamine

C17H18N4O2 — CID 39222393

IUPAC[3,4-dimethoxy-5-(5-pyridin-3-yl-1H-pyrazol-4-yl)phenyl]methanamine
SMILESCOc1cc(CN)cc(-c2cn[nH]c2-c2cccnc2)c1OC
InChIInChI=1S/C17H18N4O2/c1-22-15-7-11(8-18)6-13(17(15)23-2)14-10-20-21-16(14)12-4-3-5-19-9-12/h3-7,9-10H,8,18H2,1-2H3,(H,20,21)
InChIKeyFPUJSZVHYYZLID-UHFFFAOYSA-N
MW310.36 g/mol
LogP2.61
Rot. Bonds5

About [3,4-dimethoxy-5-(5-pyridin-3-yl-1H-pyrazol-4-yl)phenyl]methanamine

[3,4-dimethoxy-5-(5-pyridin-3-yl-1H-pyrazol-4-yl)phenyl]methanamine (PubChem CID 39222393) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is [3,4-dimethoxy-5-(5-pyridin-3-yl-1H-pyrazol-4-yl)phenyl]methanamine.

Molecular Properties

Compound Name[3,4-dimethoxy-5-(5-pyridin-3-yl-1H-pyrazol-4-yl)phenyl]methanamine
PubChem CID39222393
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC Name[3,4-dimethoxy-5-(5-pyridin-3-yl-1H-pyrazol-4-yl)phenyl]methanamine
SMILESCOc1cc(CN)cc(-c2cn[nH]c2-c2cccnc2)c1OC
InChIInChI=1S/C17H18N4O2/c1-22-15-7-11(8-18)6-13(17(15)23-2)14-10-20-21-16(14)12-4-3-5-19-9-12/h3-7,9-10H,8,18H2,1-2H3,(H,20,21)
InChIKeyFPUJSZVHYYZLID-UHFFFAOYSA-N
XLogP2.61
TPSA86.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,4-dimethoxy-5-pyridin-3-ylphenyl)ethanamine
CID 39226574
[3,5-dimethoxy-4-(2-pyridin-3-ylethoxy)phenyl]methanamine
CID 63265023
4-(2-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1H-pyrazole
CID 174686401
3-(3,4,5-trimethoxyphenyl)pyridine
CID 141070241
3-(4-pyridin-4-yl-1H-pyrazol-5-yl)pyridine
CID 3321413
3-(2,3-dimethoxyphenyl)pyridine
CID 22001178
1-(pyridin-3-ylmethyl)-4-[[5-(3,4,5-trimethoxyphenyl)-1H-pyrazol-4-yl]methyl]piperazine
CID 30723108
3-(2,5-dimethoxy-4-pyridin-3-ylphenyl)pyridine
CID 156631933
4-(3,4-dimethoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1H-pyrazole
CID 141185580
3,4-dimethoxy-5-pyridin-3-ylbenzonitrile
CID 39231339
(E)-N-methoxy-1-(5-pyridin-3-yl-1H-pyrazol-4-yl)methanimine
CID 167935057
5-(2-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1H-pyrazole
CID 174686402

Frequently Asked Questions

What is the IUPAC name of [3,4-dimethoxy-5-(5-pyridin-3-yl-1H-pyrazol-4-yl)phenyl]methanamine?
The IUPAC name of [3,4-dimethoxy-5-(5-pyridin-3-yl-1H-pyrazol-4-yl)phenyl]methanamine (CID 39222393) is [3,4-dimethoxy-5-(5-pyridin-3-yl-1H-pyrazol-4-yl)phenyl]methanamine.
What is the SMILES notation for [3,4-dimethoxy-5-(5-pyridin-3-yl-1H-pyrazol-4-yl)phenyl]methanamine?
The canonical SMILES for [3,4-dimethoxy-5-(5-pyridin-3-yl-1H-pyrazol-4-yl)phenyl]methanamine is COc1cc(CN)cc(-c2cn[nH]c2-c2cccnc2)c1OC.
What is the InChIKey of [3,4-dimethoxy-5-(5-pyridin-3-yl-1H-pyrazol-4-yl)phenyl]methanamine?
The InChIKey is FPUJSZVHYYZLID-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-22-15-7-11(8-18)6-13(17(15)23-2)14-10-20-21-16(14)12-4-3-5-19-9-12/h3-7,9-10H,8,18H2,1-2H3,(H,20,21).
What are the key properties of [3,4-dimethoxy-5-(5-pyridin-3-yl-1H-pyrazol-4-yl)phenyl]methanamine?
[3,4-dimethoxy-5-(5-pyridin-3-yl-1H-pyrazol-4-yl)phenyl]methanamine has a molecular weight of 310.36 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3,4-dimethoxy-5-(5-pyridin-3-yl-1H-pyrazol-4-yl)phenyl]methanamine is sourced from PubChem (CID 39222393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).