[4,5-dimethoxy-2-(1-methylpyrazol-4-yl)phenyl]methanamine

C13H17N3O2 — CID 54980067

IUPAC[4,5-dimethoxy-2-(1-methylpyrazol-4-yl)phenyl]methanamine
SMILESCOc1cc(CN)c(-c2cnn(C)c2)cc1OC
InChIInChI=1S/C13H17N3O2/c1-16-8-10(7-15-16)11-5-13(18-3)12(17-2)4-9(11)6-14/h4-5,7-8H,6,14H2,1-3H3
InChIKeyXGKYLJMPWGPDCO-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.56
Rot. Bonds4

About [4,5-dimethoxy-2-(1-methylpyrazol-4-yl)phenyl]methanamine

[4,5-dimethoxy-2-(1-methylpyrazol-4-yl)phenyl]methanamine (PubChem CID 54980067) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is [4,5-dimethoxy-2-(1-methylpyrazol-4-yl)phenyl]methanamine.

Molecular Properties

Compound Name[4,5-dimethoxy-2-(1-methylpyrazol-4-yl)phenyl]methanamine
PubChem CID54980067
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name[4,5-dimethoxy-2-(1-methylpyrazol-4-yl)phenyl]methanamine
SMILESCOc1cc(CN)c(-c2cnn(C)c2)cc1OC
InChIInChI=1S/C13H17N3O2/c1-16-8-10(7-15-16)11-5-13(18-3)12(17-2)4-9(11)6-14/h4-5,7-8H,6,14H2,1-3H3
InChIKeyXGKYLJMPWGPDCO-UHFFFAOYSA-N
XLogP1.56
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4,5-dimethoxy-2-(1-methylpyrazol-4-yl)phenyl]methyl]propan-1-amine
CID 61033659
[4,5-dimethoxy-2-(1-methyl-3-propylpyrazol-4-yl)phenyl]methanamine
CID 66009735
[5-(1-methylpyrazol-4-yl)pyridazin-4-yl]methanamine
CID 82404489
(4,5-dimethoxy-2-pyridin-4-ylphenyl)methanamine
CID 61075245
[4,5-dimethoxy-2-(3,4,5-trifluorophenyl)phenyl]methanamine
CID 61241607
[2-(4-chlorophenyl)-4,5-dimethoxyphenyl]methanamine
CID 54911492
[2-methyl-3-(1-methylpyrazol-4-yl)phenyl]methanamine
CID 171364559
4-methoxy-3-(1-methylpyrazol-4-yl)benzaldehyde
CID 82039718
2-methoxy-5-(1-methylpyrazol-4-yl)-4-(1,4-oxazepan-4-ylmethyl)aniline
CID 172765645
2-methoxy-4-(1-methylpyrazol-4-yl)-5-nitroaniline
CID 121280739
[2-(4-ethylphenyl)-4,5-dimethoxyphenyl]methanamine
CID 61033908
[4-methyl-3-(1-methylpyrazol-4-yl)phenyl]methanamine
CID 105408567

Frequently Asked Questions

What is the IUPAC name of [4,5-dimethoxy-2-(1-methylpyrazol-4-yl)phenyl]methanamine?
The IUPAC name of [4,5-dimethoxy-2-(1-methylpyrazol-4-yl)phenyl]methanamine (CID 54980067) is [4,5-dimethoxy-2-(1-methylpyrazol-4-yl)phenyl]methanamine.
What is the SMILES notation for [4,5-dimethoxy-2-(1-methylpyrazol-4-yl)phenyl]methanamine?
The canonical SMILES for [4,5-dimethoxy-2-(1-methylpyrazol-4-yl)phenyl]methanamine is COc1cc(CN)c(-c2cnn(C)c2)cc1OC.
What is the InChIKey of [4,5-dimethoxy-2-(1-methylpyrazol-4-yl)phenyl]methanamine?
The InChIKey is XGKYLJMPWGPDCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-16-8-10(7-15-16)11-5-13(18-3)12(17-2)4-9(11)6-14/h4-5,7-8H,6,14H2,1-3H3.
What are the key properties of [4,5-dimethoxy-2-(1-methylpyrazol-4-yl)phenyl]methanamine?
[4,5-dimethoxy-2-(1-methylpyrazol-4-yl)phenyl]methanamine has a molecular weight of 247.30 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4,5-dimethoxy-2-(1-methylpyrazol-4-yl)phenyl]methanamine is sourced from PubChem (CID 54980067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).