1-[3,4-dimethoxy-5-(1,3,5-trimethylpyrazol-4-yl)phenyl]-N-methylethanamine

C17H25N3O2 — CID 110447777

IUPAC1-[3,4-dimethoxy-5-(1,3,5-trimethylpyrazol-4-yl)phenyl]-N-methylethanamine
SMILESCNC(C)c1cc(OC)c(OC)c(-c2c(C)nn(C)c2C)c1
InChIInChI=1S/C17H25N3O2/c1-10(18-4)13-8-14(17(22-7)15(9-13)21-6)16-11(2)19-20(5)12(16)3/h8-10,18H,1-7H3
InChIKeyCMVGENBGJYNOIW-UHFFFAOYSA-N
MW303.41 g/mol
LogP3.00
Rot. Bonds5

About 1-[3,4-dimethoxy-5-(1,3,5-trimethylpyrazol-4-yl)phenyl]-N-methylethanamine

1-[3,4-dimethoxy-5-(1,3,5-trimethylpyrazol-4-yl)phenyl]-N-methylethanamine (PubChem CID 110447777) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 1-[3,4-dimethoxy-5-(1,3,5-trimethylpyrazol-4-yl)phenyl]-N-methylethanamine.

Molecular Properties

Compound Name1-[3,4-dimethoxy-5-(1,3,5-trimethylpyrazol-4-yl)phenyl]-N-methylethanamine
PubChem CID110447777
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name1-[3,4-dimethoxy-5-(1,3,5-trimethylpyrazol-4-yl)phenyl]-N-methylethanamine
SMILESCNC(C)c1cc(OC)c(OC)c(-c2c(C)nn(C)c2C)c1
InChIInChI=1S/C17H25N3O2/c1-10(18-4)13-8-14(17(22-7)15(9-13)21-6)16-11(2)19-20(5)12(16)3/h8-10,18H,1-7H3
InChIKeyCMVGENBGJYNOIW-UHFFFAOYSA-N
XLogP3.00
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3,4-dimethoxy-5-(1,3,5-trimethylpyrazol-4-yl)phenyl]ethanamine
CID 82542007
3-[3,4-dimethoxy-5-(1,3,5-trimethylpyrazol-4-yl)phenyl]butanoic acid
CID 110447364
1-[4,5-dimethoxy-2-(1,3,5-trimethylpyrazol-4-yl)phenyl]-N-methylmethanamine
CID 61034443
1-[3,4-dimethoxy-5-[2-(trifluoromethyl)phenyl]phenyl]-N-methylethanamine
CID 110447814
1,3,6-trimethyl-N-[(1S)-1-(3,4,5-trimethoxyphenyl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 95894530
1,3,6-trimethyl-N-[1-(3,4,5-trimethoxyphenyl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 70772776
2,3-dimethoxy-5-(1,3,5-trimethylpyrazol-4-yl)benzaldehyde
CID 82039765
1-[3,4-dimethoxy-5-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)phenyl]-N-methylethanamine
CID 110447821
N-methyl-1-[3-(1,3,5-trimethylpyrazol-4-yl)oxyphenyl]ethanamine
CID 79168453
4-methoxy-3-(1,3,5-trimethylpyrazol-4-yl)benzaldehyde
CID 82039757
3-[5-(difluoromethyl)-2,3-dimethoxyphenyl]-1-methylpyrazol-5-amine
CID 117455221
1-[4-methoxy-3-(4-methylphenyl)phenyl]-N-methylethanamine
CID 82540557

Frequently Asked Questions

What is the IUPAC name of 1-[3,4-dimethoxy-5-(1,3,5-trimethylpyrazol-4-yl)phenyl]-N-methylethanamine?
The IUPAC name of 1-[3,4-dimethoxy-5-(1,3,5-trimethylpyrazol-4-yl)phenyl]-N-methylethanamine (CID 110447777) is 1-[3,4-dimethoxy-5-(1,3,5-trimethylpyrazol-4-yl)phenyl]-N-methylethanamine.
What is the SMILES notation for 1-[3,4-dimethoxy-5-(1,3,5-trimethylpyrazol-4-yl)phenyl]-N-methylethanamine?
The canonical SMILES for 1-[3,4-dimethoxy-5-(1,3,5-trimethylpyrazol-4-yl)phenyl]-N-methylethanamine is CNC(C)c1cc(OC)c(OC)c(-c2c(C)nn(C)c2C)c1.
What is the InChIKey of 1-[3,4-dimethoxy-5-(1,3,5-trimethylpyrazol-4-yl)phenyl]-N-methylethanamine?
The InChIKey is CMVGENBGJYNOIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-10(18-4)13-8-14(17(22-7)15(9-13)21-6)16-11(2)19-20(5)12(16)3/h8-10,18H,1-7H3.
What are the key properties of 1-[3,4-dimethoxy-5-(1,3,5-trimethylpyrazol-4-yl)phenyl]-N-methylethanamine?
1-[3,4-dimethoxy-5-(1,3,5-trimethylpyrazol-4-yl)phenyl]-N-methylethanamine has a molecular weight of 303.41 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,4-dimethoxy-5-(1,3,5-trimethylpyrazol-4-yl)phenyl]-N-methylethanamine is sourced from PubChem (CID 110447777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).